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

C31H34N4O2 — CID 53043840

IUPACN-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCc4ccccc4C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C31H34N4O2/c1-22-11-13-24(14-12-22)21-35-28-10-6-5-9-27(28)33-29(31(35)37)34-19-16-26(17-20-34)30(36)32-18-15-25-8-4-3-7-23(25)2/h3-14,26H,15-21H2,1-2H3,(H,32,36)
InChIKeyGLUFDNVUUOYPJB-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.64
Rot. Bonds7

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

N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 53043840) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID53043840
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCc4ccccc4C)CC3)nc3ccccc32)cc1
InChIInChI=1S/C31H34N4O2/c1-22-11-13-24(14-12-22)21-35-28-10-6-5-9-27(28)33-29(31(35)37)34-19-16-26(17-20-34)30(36)32-18-15-25-8-4-3-7-23(25)2/h3-14,26H,15-21H2,1-2H3,(H,32,36)
InChIKeyGLUFDNVUUOYPJB-UHFFFAOYSA-N
XLogP4.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53062578
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53062480
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457551
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
(3S)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95059143

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide (CID 53043840) is N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCc4ccccc4C)CC3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is GLUFDNVUUOYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-22-11-13-24(14-12-22)21-35-28-10-6-5-9-27(28)33-29(31(35)37)34-19-16-26(17-20-34)30(36)32-18-15-25-8-4-3-7-23(25)2/h3-14,26H,15-21H2,1-2H3,(H,32,36).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide?
N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53043840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).