N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Formula:C22H25N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide is a drug-like molecule.

MolName	N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide
MolecularFormula	C22H25N4O4Cl
Smiles	O=C(C1(CCNCC1)NC(/C=C/c1cocc1)=O)NCCNC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C22H25ClN4O4/c23-18-4-2-17(3-5-18)20(29)25-12-13-26-21(30)22(8-10-24-11-9-22)27-19(28)6-1-16-7-14-31-15-16/h1-7,14-15,24H,8-13H2,(H,25,29)(H,26,30)(H,27,28)
InChIK	QSPQVRLMWMBGMZ-UHFFFAOYSA-N
TotalMolweight	444.918
Molweight	444.918
MonoisotopicMass	444.156433
CLogP	1.3257
CLogS	-3.747
H Acceptors	8
H Donors	4
TotalSurfaceArea	343.19
Relative PSA	0.28867
PolarSurfaceArea	112.47
Druglikeness	3.6934
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

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