N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide

C21H23ClN2O3 — CID 991429

IUPACN-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-3-11-24(13-14)21(26)18-12-16(22)7-10-19(18)23-20(25)15-5-8-17(27-2)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyUZQVVISSCVQMQW-AWEZNQCLSA-N
MW386.88 g/mol
LogP4.47
Rot. Bonds4

About N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide

N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide (PubChem CID 991429) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide
PubChem CID991429
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-3-11-24(13-14)21(26)18-12-16(22)7-10-19(18)23-20(25)15-5-8-17(27-2)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyUZQVVISSCVQMQW-AWEZNQCLSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090402
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
2-[(4-methoxybenzoyl)amino]-5-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146058003
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide (CID 991429) is N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The InChIKey is UZQVVISSCVQMQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-4-3-11-24(13-14)21(26)18-12-16(22)7-10-19(18)23-20(25)15-5-8-17(27-2)9-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide has a molecular weight of 386.88 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 991429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).