1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C23H26N4O2 — CID 53070339

IUPAC1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3n(C)c2=O)C1
InChIInChI=1S/C23H26N4O2/c1-16-8-3-4-9-17(16)14-24-22(28)18-10-7-13-27(15-18)21-23(29)26(2)20-12-6-5-11-19(20)25-21/h3-6,8-9,11-12,18H,7,10,13-15H2,1-2H3,(H,24,28)
InChIKeyDPTQKJXFLOEOPV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53070339) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53070339
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3n(C)c2=O)C1
InChIInChI=1S/C23H26N4O2/c1-16-8-3-4-9-17(16)14-24-22(28)18-10-7-13-27(15-18)21-23(29)26(2)20-12-6-5-11-19(20)25-21/h3-6,8-9,11-12,18H,7,10,13-15H2,1-2H3,(H,24,28)
InChIKeyDPTQKJXFLOEOPV-UHFFFAOYSA-N
XLogP2.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454638
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46396165

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 53070339) is 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3n(C)c2=O)C1.
What is the InChIKey of 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DPTQKJXFLOEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-8-3-4-9-17(16)14-24-22(28)18-10-7-13-27(15-18)21-23(29)26(2)20-12-6-5-11-19(20)25-21/h3-6,8-9,11-12,18H,7,10,13-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53070339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).