1-benzyl-3-piperidin-1-ylquinoxalin-2-one

C20H21N3O — CID 174769757

IUPAC1-benzyl-3-piperidin-1-ylquinoxalin-2-one
SMILESO=c1c(N2CCCCC2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H21N3O/c24-20-19(22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)23(20)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyBVLCIOWTXGTESE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.44
Rot. Bonds3

About 1-benzyl-3-piperidin-1-ylquinoxalin-2-one

1-benzyl-3-piperidin-1-ylquinoxalin-2-one (PubChem CID 174769757) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-benzyl-3-piperidin-1-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-piperidin-1-ylquinoxalin-2-one
PubChem CID174769757
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-benzyl-3-piperidin-1-ylquinoxalin-2-one
SMILESO=c1c(N2CCCCC2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H21N3O/c24-20-19(22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)23(20)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyBVLCIOWTXGTESE-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-piperidin-1-ylquinoxalin-2-one?
The IUPAC name of 1-benzyl-3-piperidin-1-ylquinoxalin-2-one (CID 174769757) is 1-benzyl-3-piperidin-1-ylquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-piperidin-1-ylquinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-piperidin-1-ylquinoxalin-2-one is O=c1c(N2CCCCC2)nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-piperidin-1-ylquinoxalin-2-one?
The InChIKey is BVLCIOWTXGTESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20-19(22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)23(20)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2.
What are the key properties of 1-benzyl-3-piperidin-1-ylquinoxalin-2-one?
1-benzyl-3-piperidin-1-ylquinoxalin-2-one has a molecular weight of 319.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-piperidin-1-ylquinoxalin-2-one is sourced from PubChem (CID 174769757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).