(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C13H14Cl2N2O3 — CID 95279970

IUPAC(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1c(Cl)cc(NC(=O)[C@H]2CCC(=O)NC2)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-20-12-9(14)4-8(5-10(12)15)17-13(19)7-2-3-11(18)16-6-7/h4-5,7H,2-3,6H2,1H3,(H,16,18)(H,17,19)/t7-/m0/s1
InChIKeyKAFQLRUTCBDIIR-ZETCQYMHSA-N
MW317.17 g/mol
LogP2.47
Rot. Bonds3

About (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 95279970) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID95279970
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1c(Cl)cc(NC(=O)[C@H]2CCC(=O)NC2)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-20-12-9(14)4-8(5-10(12)15)17-13(19)7-2-3-11(18)16-6-7/h4-5,7H,2-3,6H2,1H3,(H,16,18)(H,17,19)/t7-/m0/s1
InChIKeyKAFQLRUTCBDIIR-ZETCQYMHSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
CID 51092092
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 76896736
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 95279970) is (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1c(Cl)cc(NC(=O)[C@H]2CCC(=O)NC2)cc1Cl.
What is the InChIKey of (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KAFQLRUTCBDIIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-20-12-9(14)4-8(5-10(12)15)17-13(19)7-2-3-11(18)16-6-7/h4-5,7H,2-3,6H2,1H3,(H,16,18)(H,17,19)/t7-/m0/s1.
What are the key properties of (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 317.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95279970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).