(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

C15H19ClN2O3 — CID 156560476

IUPAC(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H19ClN2O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyBNNOAOKVZSKWSM-SNVBAGLBSA-N
MW310.78 g/mol
LogP1.95
Rot. Bonds3

About (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide

(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 156560476) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID156560476
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H19ClN2O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyBNNOAOKVZSKWSM-SNVBAGLBSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
(3S)-1-(5-chloro-2-methoxybenzoyl)-N-(1-sulfanylethyl)piperidine-3-carboxamide
CID 145184497
1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide
CID 155371251
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
1-(5-chloro-2-methoxybenzoyl)-N-[(E)-4-phenylsulfanylbut-3-enyl]piperidine-3-carboxamide
CID 153353803
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
(5-chloro-2-methoxyphenyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146976
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 156560476) is (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is BNNOAOKVZSKWSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-17-14(19)10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 156560476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).