1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one

C17H20N4O — CID 118740232

IUPAC1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(4-3-14-2-1-7-18-12-14)21-10-5-15(6-11-21)16-13-19-8-9-20-16/h1-2,7-9,12-13,15H,3-6,10-11H2
InChIKeySOBRPNYDTWXGSW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one

1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 118740232) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID118740232
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(4-3-14-2-1-7-18-12-14)21-10-5-15(6-11-21)16-13-19-8-9-20-16/h1-2,7-9,12-13,15H,3-6,10-11H2
InChIKeySOBRPNYDTWXGSW-UHFFFAOYSA-N
XLogP2.21
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-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-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one (CID 118740232) is 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CCC(c2cnccn2)CC1.
What is the InChIKey of 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is SOBRPNYDTWXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(4-3-14-2-1-7-18-12-14)21-10-5-15(6-11-21)16-13-19-8-9-20-16/h1-2,7-9,12-13,15H,3-6,10-11H2.
What are the key properties of 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one?
1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazin-2-ylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 118740232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).