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

C31H34N4O2 — CID 53070369

IUPACN-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)C2)cc1
InChIInChI=1S/C31H34N4O2/c1-3-23-14-16-24(17-15-23)19-32-30(36)26-7-6-18-34(21-26)29-31(37)35(20-25-12-10-22(2)11-13-25)28-9-5-4-8-27(28)33-29/h4-5,8-17,26H,3,6-7,18-21H2,1-2H3,(H,32,36)
InChIKeyVLWOXPLLPDKWMM-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.85
Rot. Bonds7

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

N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 53070369) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
PubChem CID53070369
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)C2)cc1
InChIInChI=1S/C31H34N4O2/c1-3-23-14-16-24(17-15-23)19-32-30(36)26-7-6-18-34(21-26)29-31(37)35(20-25-12-10-22(2)11-13-25)28-9-5-4-8-27(28)33-29/h4-5,8-17,26H,3,6-7,18-21H2,1-2H3,(H,32,36)
InChIKeyVLWOXPLLPDKWMM-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53198927
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129424334
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
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457551
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129427303

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide (CID 53070369) is N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4n(Cc4ccc(C)cc4)c3=O)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
The InChIKey is VLWOXPLLPDKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-3-23-14-16-24(17-15-23)19-32-30(36)26-7-6-18-34(21-26)29-31(37)35(20-25-12-10-22(2)11-13-25)28-9-5-4-8-27(28)33-29/h4-5,8-17,26H,3,6-7,18-21H2,1-2H3,(H,32,36).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53070369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).