1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone

C15H16ClN3O — CID 134292411

IUPAC1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(Cl)c2nccnc2c1
InChIInChI=1S/C15H16ClN3O/c16-12-8-11(9-13-15(12)18-5-4-17-13)14(20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyLXQPYJZXDMFTTR-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.95
Rot. Bonds3

About 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone

1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone (PubChem CID 134292411) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone
PubChem CID134292411
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(Cl)c2nccnc2c1
InChIInChI=1S/C15H16ClN3O/c16-12-8-11(9-13-15(12)18-5-4-17-13)14(20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyLXQPYJZXDMFTTR-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone 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-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone (CID 134292411) is 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1cc(Cl)c2nccnc2c1.
What is the InChIKey of 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone?
The InChIKey is LXQPYJZXDMFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-8-11(9-13-15(12)18-5-4-17-13)14(20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone?
1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone has a molecular weight of 289.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 134292411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).