(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

C20H19ClN4O — CID 92726481

IUPAC(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C20H19ClN4O/c21-15-6-3-7-16(11-15)23-20(26)14-5-4-10-25(13-14)19-12-22-17-8-1-2-9-18(17)24-19/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,26)/t14-/m0/s1
InChIKeyGIBMNPQVOTXMQT-AWEZNQCLSA-N
MW366.85 g/mol
LogP4.14
Rot. Bonds3

About (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (PubChem CID 92726481) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
PubChem CID92726481
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C20H19ClN4O/c21-15-6-3-7-16(11-15)23-20(26)14-5-4-10-25(13-14)19-12-22-17-8-1-2-9-18(17)24-19/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,26)/t14-/m0/s1
InChIKeyGIBMNPQVOTXMQT-AWEZNQCLSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
(3S)-N-(3-chlorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 93065194
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107163
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
(3S)-N-(3-chlorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39348001
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (CID 92726481) is (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The InChIKey is GIBMNPQVOTXMQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-15-6-3-7-16(11-15)23-20(26)14-5-4-10-25(13-14)19-12-22-17-8-1-2-9-18(17)24-19/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,23,26)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92726481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).