C26H33N3O3 | Cheminformatics

4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide

Formula:C26H33N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide is a drug-like molecule.

MolName4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
MolecularFormulaC26H33N3O3
SmilesCC(CC1)CCN1c(ccc(NC(c(cc1)ccc1OC)=O)c1)c1C(N1CCCCC1)=O
InChIInChI=1S/C26H33N3O3/c1-19-12-16-28(17-13-19)24-11-8-21(18-23(24)26(31)29-14-4-3-5-15-29)27-25(30)20-6-9-22(32-2)10-7-20/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,27,30)
InChIKKQPLMNSQQGGEEV-UHFFFAOYSA-N
TotalMolweight435.566
Molweight435.566
MonoisotopicMass435.252192
CLogP4.6777
CLogS-4.897
H Acceptors6
H Donors1
TotalSurfaceArea344.44
Relative PSA0.15863
PolarSurfaceArea61.88
Druglikeness3.3214
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Symmetricatoms6
Amides2
Amines1
Aromatic Amines1
StereoCon

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