(E)-1,1,1-trifluoro-4-[4-[3-[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidin-4-yl]propyl]piperidin-1-yl]but-3-en-2-one

Formula:C21H28N2O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-[4-[3-[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidin-4-yl]propyl]piperidin-1-yl]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-[4-[3-[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidin-4-yl]propyl]piperidin-1-yl]but-3-en-2-one
MolecularFormula	C21H28N2O2F6
Smiles	O=C(C(F)(F)F)/C=C/N1CCC(CCCC(CC2)CCN2/C=C/C(C(F)(F)F)=O)CC1
InChI	InChI=1S/C21H28F6N2O2/c22-20(23,24)18(30)8-14-28-10-4-16(5-11-28)2-1-3-17-6-12-29(13-7-17)15-9-19(31)21(25,26)27/h8-9,14-17H,1-7,10-13H2
InChIK	CXTNKPSMSMQQRB-UHFFFAOYSA-N
TotalMolweight	454.453
Molweight	454.453
MonoisotopicMass	454.205496
CLogP	3.9194
CLogS	-4.584
H Acceptors	4
TotalSurfaceArea	330.88
Relative PSA	0.10028
PolarSurfaceArea	40.62
Druglikeness	-31.552
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Sp3Atoms	15
Symmetricatoms	19
StereoCon

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1 - (E)-1,1,1-trifluoro-4-[4-[3-[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidin-4-yl]propyl]piperidin-1-yl]but-3-en-2-one | 2 - (E)-1,1,1-trifluoro-4-[4-[3-[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidin-4-yl]propyl]piperidin-1-yl]but-3-en-2-one

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