(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

C21H21ClN4O2 — CID 30447165

IUPAC(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-13-8-9-15(11-16(13)22)23-20(27)14-5-4-10-26(12-14)19-21(28)25-18-7-3-2-6-17(18)24-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyVIVKIABADVLBRX-CQSZACIVSA-N
MW396.88 g/mol
LogP3.74
Rot. Bonds3

About (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 30447165) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID30447165
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-13-8-9-15(11-16(13)22)23-20(27)14-5-4-10-26(12-14)19-21(28)25-18-7-3-2-6-17(18)24-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyVIVKIABADVLBRX-CQSZACIVSA-N
XLogP3.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070397
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
(3S)-N-(3-chloro-4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085857
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
N-(3-chloro-4-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 20912368
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (CID 30447165) is (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1Cl.
What is the InChIKey of (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is VIVKIABADVLBRX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-8-9-15(11-16(13)22)23-20(27)14-5-4-10-26(12-14)19-21(28)25-18-7-3-2-6-17(18)24-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30447165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).