1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one

C21H31N3O — CID 59451277

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
InChIKeyQBCFAHSZCSXMHM-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.02
Rot. Bonds2

About 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one

1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one (PubChem CID 59451277) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one
PubChem CID59451277
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2
InChIKeyQBCFAHSZCSXMHM-UHFFFAOYSA-N
XLogP4.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
1-(4-Phenylpiperazino)-2-piperidinoethan-1-one
CID 567074
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
N-butyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2873401
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2971710
3-hydroxy-N-[2-oxo-2-(phenylamino)ethyl]quinoxaline-1(2H)-carboxamide
CID 8035402
3,3-dimethyl-1-prop-2-enyl-4H-quinoxalin-2-one
CID 648713
3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one
CID 777096
8,9-Difluoro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 9882045

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one (CID 59451277) is 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is QBCFAHSZCSXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21-16-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18,22H,1-5,8-9,12-16H2.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 341.50 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 59451277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).