[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-4-yl]methanone

Formula:C28H37N3O Mutagenic:none Tumorigenic:none Reproductive Effective:low [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-4-yl]methanone is a drug-like molecule.

MolName	[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-4-yl]methanone
MolecularFormula	C28H37N3O
Smiles	O=C(C1CCN(CCCc2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C28H37N3O/c32-28(27-15-19-29(20-16-27)17-7-13-25-9-3-1-4-10-25)31-23-21-30(22-24-31)18-8-14-26-11-5-2-6-12-26/h1-6,8-12,14,27H,7,13,15-24H2
InChIK	BMOGFDCCYJYOMH-UHFFFAOYSA-N
TotalMolweight	431.622
Molweight	431.622
MonoisotopicMass	431.293662
CLogP	4.7709
CLogS	-3.142
H Acceptors	4
TotalSurfaceArea	358.79
Relative PSA	0.066027
PolarSurfaceArea	26.79
Druglikeness	11.407
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.71875
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	8
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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