cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C15H22N4O — CID 110875668

IUPACcyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-2-1-3-12)18-8-6-13(7-9-18)19-10-16-17-14(19)11-4-5-11/h10-13H,1-9H2
InChIKeyHXSGXROFMAHDCP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.12
Rot. Bonds3

About cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 110875668) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID110875668
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namecyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-2-1-3-12)18-8-6-13(7-9-18)19-10-16-17-14(19)11-4-5-11/h10-13H,1-9H2
InChIKeyHXSGXROFMAHDCP-UHFFFAOYSA-N
XLogP2.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-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 cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 110875668) is cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(n2cnnc2C2CC2)CC1.
What is the InChIKey of cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is HXSGXROFMAHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(12-2-1-3-12)18-8-6-13(7-9-18)19-10-16-17-14(19)11-4-5-11/h10-13H,1-9H2.
What are the key properties of cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110875668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).