N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide

C20H21ClN2O2 — CID 109048985

IUPACN-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H21ClN2O2/c1-14-3-2-12-23(13-14)20(25)16-6-4-15(5-7-16)19(24)22-18-10-8-17(21)9-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyFWSQHVRVLFTTJI-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.46
Rot. Bonds3

About N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide

N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109048985) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109048985
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H21ClN2O2/c1-14-3-2-12-23(13-14)20(25)16-6-4-15(5-7-16)19(24)22-18-10-8-17(21)9-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyFWSQHVRVLFTTJI-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide (CID 109048985) is N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide is CC1CCCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is FWSQHVRVLFTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-3-2-12-23(13-14)20(25)16-6-4-15(5-7-16)19(24)22-18-10-8-17(21)9-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide?
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109048985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).