4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

C19H22N2O — CID 124566433

IUPAC4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-14-4-6-16(7-5-14)19(22)21-18-10-8-15(9-11-18)17-3-2-12-20-13-17/h4-11,17,20H,2-3,12-13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyPBNXECFBRFLAEW-QGZVFWFLSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds3

About 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 124566433) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID124566433
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-14-4-6-16(7-5-14)19(22)21-18-10-8-15(9-11-18)17-3-2-12-20-13-17/h4-11,17,20H,2-3,12-13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyPBNXECFBRFLAEW-QGZVFWFLSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 160533406
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-4-piperidin-3-ylbenzamide
CID 167835937

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 124566433) is 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is PBNXECFBRFLAEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-4-6-16(7-5-14)19(22)21-18-10-8-15(9-11-18)17-3-2-12-20-13-17/h4-11,17,20H,2-3,12-13H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 294.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 124566433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).