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

C21H22N4O2 — CID 53070397

IUPACN-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H22N4O2/c1-14-7-2-3-9-16(14)23-20(26)15-8-6-12-25(13-15)19-21(27)24-18-11-5-4-10-17(18)22-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyGRXCNSYUCOQRQD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds3

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

N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 53070397) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID53070397
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H22N4O2/c1-14-7-2-3-9-16(14)23-20(26)15-8-6-12-25(13-15)19-21(27)24-18-11-5-4-10-17(18)22-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyGRXCNSYUCOQRQD-UHFFFAOYSA-N
XLogP3.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30447165
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620
(3R)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889279
(3S)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889280
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 46359196
N-(2-methylphenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328176
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (CID 53070397) is N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is Cc1ccccc1NC(=O)C1CCCN(c2nc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is GRXCNSYUCOQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-7-2-3-9-16(14)23-20(26)15-8-6-12-25(13-15)19-21(27)24-18-11-5-4-10-17(18)22-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53070397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).