(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide

C17H22ClN3O2 — CID 97076746

IUPAC(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CN1
InChIInChI=1S/C17H22ClN3O2/c18-13-5-6-15(21-8-2-1-3-9-21)14(10-13)20-17(23)12-4-7-16(22)19-11-12/h5-6,10,12H,1-4,7-9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyCPMRJHOLBRMOOG-GFCCVEGCSA-N
MW335.84 g/mol
LogP2.80
Rot. Bonds3

About (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide

(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 97076746) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID97076746
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CN1
InChIInChI=1S/C17H22ClN3O2/c18-13-5-6-15(21-8-2-1-3-9-21)14(10-13)20-17(23)12-4-7-16(22)19-11-12/h5-6,10,12H,1-4,7-9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyCPMRJHOLBRMOOG-GFCCVEGCSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
CID 78978988
N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 16566635
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
2,4-difluoro-5-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid
CID 76876658
6-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-3-carboxamide
CID 122298657
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide (CID 97076746) is (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CN1.
What is the InChIKey of (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CPMRJHOLBRMOOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-13-5-6-15(21-8-2-1-3-9-21)14(10-13)20-17(23)12-4-7-16(22)19-11-12/h5-6,10,12H,1-4,7-9,11H2,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97076746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).