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

C14H22N4O — CID 91919511

IUPACcyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCCn1cnnc1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-10-15-16-13(17)9-11-5-7-18(8-6-11)14(19)12-3-4-12/h10-12H,2-9H2,1H3
InChIKeyNQXAWLQFAJCPQA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.49
Rot. Bonds4

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

cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91919511) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91919511
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Namecyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCCn1cnnc1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-10-15-16-13(17)9-11-5-7-18(8-6-11)14(19)12-3-4-12/h10-12H,2-9H2,1H3
InChIKeyNQXAWLQFAJCPQA-UHFFFAOYSA-N
XLogP1.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)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 cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91919511) is cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is CCn1cnnc1CC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is NQXAWLQFAJCPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-17-10-15-16-13(17)9-11-5-7-18(8-6-11)14(19)12-3-4-12/h10-12H,2-9H2,1H3.
What are the key properties of cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91919511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).