(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C13H19ClN4O — CID 107257835

IUPAC(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUZWKERWKWIWGIR-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.54
Rot. Bonds3

About (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 107257835) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID107257835
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyUZWKERWKWIWGIR-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone 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 (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 107257835) is (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is UZWKERWKWIWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-17(2)9-10-3-5-18(6-4-10)13(19)11-7-16-12(14)8-15-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 107257835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).