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

C29H30N4O3 — CID 30444897

IUPAC1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C29H30N4O3/c1-36-24-11-7-10-22(18-24)19-30-28(34)23-14-16-32(17-15-23)27-29(35)33(20-21-8-3-2-4-9-21)26-13-6-5-12-25(26)31-27/h2-13,18,23H,14-17,19-20H2,1H3,(H,30,34)
InChIKeyGPHQXOGGAYWPBE-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.99
Rot. Bonds7

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

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 30444897) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID30444897
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C29H30N4O3/c1-36-24-11-7-10-22(18-24)19-30-28(34)23-14-16-32(17-15-23)27-29(35)33(20-21-8-3-2-4-9-21)26-13-6-5-12-25(26)31-27/h2-13,18,23H,14-17,19-20H2,1H3,(H,30,34)
InChIKeyGPHQXOGGAYWPBE-UHFFFAOYSA-N
XLogP3.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444920
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-[(3-methoxyphenyl)methyl]-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837412
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 30444349
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 30444897) is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)c1.
What is the InChIKey of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GPHQXOGGAYWPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-36-24-11-7-10-22(18-24)19-30-28(34)23-14-16-32(17-15-23)27-29(35)33(20-21-8-3-2-4-9-21)26-13-6-5-12-25(26)31-27/h2-13,18,23H,14-17,19-20H2,1H3,(H,30,34).
What are the key properties of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30444897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).