1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

C27H28N4O3 — CID 53062480

IUPAC1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccco1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H28N4O3/c32-26(28-15-12-22-9-6-18-34-22)21-13-16-30(17-14-21)25-27(33)31(19-20-7-2-1-3-8-20)24-11-5-4-10-23(24)29-25/h1-11,18,21H,12-17,19H2,(H,28,32)
InChIKeyBHAORGWQTJQHBU-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.61
Rot. Bonds7

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

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53062480) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID53062480
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccco1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H28N4O3/c32-26(28-15-12-22-9-6-18-34-22)21-13-16-30(17-14-21)25-27(33)31(19-20-7-2-1-3-8-20)24-11-5-4-10-23(24)29-25/h1-11,18,21H,12-17,19H2,(H,28,32)
InChIKeyBHAORGWQTJQHBU-UHFFFAOYSA-N
XLogP3.61
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 46324860
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 53043840
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444920
(3S)-N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869817
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide (CID 53062480) is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccco1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is BHAORGWQTJQHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c32-26(28-15-12-22-9-6-18-34-22)21-13-16-30(17-14-21)25-27(33)31(19-20-7-2-1-3-8-20)24-11-5-4-10-23(24)29-25/h1-11,18,21H,12-17,19H2,(H,28,32).
What are the key properties of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.61, 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-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53062480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).