1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one

C22H31N3O — CID 118919117

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C22H31N3O/c1-17-22(26)25(21-12-8-7-11-20(21)23-17)19-13-15-24(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3
InChIKeyKBJZKOKESQWOEL-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.45
Rot. Bonds2

About 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one

1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one (PubChem CID 118919117) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
PubChem CID118919117
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C22H31N3O/c1-17-22(26)25(21-12-8-7-11-20(21)23-17)19-13-15-24(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3
InChIKeyKBJZKOKESQWOEL-UHFFFAOYSA-N
XLogP4.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one (CID 118919117) is 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one?
The InChIKey is KBJZKOKESQWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-22(26)25(21-12-8-7-11-20(21)23-17)19-13-15-24(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one has a molecular weight of 353.51 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one is sourced from PubChem (CID 118919117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).