(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone

C15H22N6O — CID 28785593

IUPAC(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
SMILESCCCc1cn(C2CCN(C(=O)c3nccn3C)CC2)nn1
InChIInChI=1S/C15H22N6O/c1-3-4-12-11-21(18-17-12)13-5-8-20(9-6-13)15(22)14-16-7-10-19(14)2/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyVOJMSMZDLLYJCI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds4

About (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone

(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 28785593) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID28785593
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
SMILESCCCc1cn(C2CCN(C(=O)c3nccn3C)CC2)nn1
InChIInChI=1S/C15H22N6O/c1-3-4-12-11-21(18-17-12)13-5-8-20(9-6-13)15(22)14-16-7-10-19(14)2/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyVOJMSMZDLLYJCI-UHFFFAOYSA-N
XLogP1.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)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 (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone (CID 28785593) is (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone is CCCc1cn(C2CCN(C(=O)c3nccn3C)CC2)nn1.
What is the InChIKey of (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is VOJMSMZDLLYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-4-12-11-21(18-17-12)13-5-8-20(9-6-13)15(22)14-16-7-10-19(14)2/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
(1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 28785593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).