1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C30H32N4O2 — CID 53070178

IUPAC1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C30H32N4O2/c35-29(31-19-9-15-23-11-3-1-4-12-23)25-16-10-20-33(22-25)28-30(36)34(21-24-13-5-2-6-14-24)27-18-8-7-17-26(27)32-28/h1-8,11-14,17-18,25H,9-10,15-16,19-22H2,(H,31,35)
InChIKeyONFKXOGNYBMMDR-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.41
Rot. Bonds8

About 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 53070178) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID53070178
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C30H32N4O2/c35-29(31-19-9-15-23-11-3-1-4-12-23)25-16-10-20-33(22-25)28-30(36)34(21-24-13-5-2-6-14-24)27-18-8-7-17-26(27)32-28/h1-8,11-14,17-18,25H,9-10,15-16,19-22H2,(H,31,35)
InChIKeyONFKXOGNYBMMDR-UHFFFAOYSA-N
XLogP4.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 30455822
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
(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-propylpiperidine-4-carboxamide
CID 30444827
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 53070178) is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1.
What is the InChIKey of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is ONFKXOGNYBMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c35-29(31-19-9-15-23-11-3-1-4-12-23)25-16-10-20-33(22-25)28-30(36)34(21-24-13-5-2-6-14-24)27-18-8-7-17-26(27)32-28/h1-8,11-14,17-18,25H,9-10,15-16,19-22H2,(H,31,35).
What are the key properties of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53070178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).