2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C18H28N4O — CID 87052175

IUPAC2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C18H28N4O/c23-17(11-14-5-1-2-6-14)22-10-4-3-7-16(22)18-20-19-13-21(18)12-15-8-9-15/h13-16H,1-12H2
InChIKeyAGLZCYHAVFVOBH-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.32
Rot. Bonds5

About 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 87052175) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID87052175
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C18H28N4O/c23-17(11-14-5-1-2-6-14)22-10-4-3-7-16(22)18-20-19-13-21(18)12-15-8-9-15/h13-16H,1-12H2
InChIKeyAGLZCYHAVFVOBH-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone 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 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 87052175) is 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is AGLZCYHAVFVOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-17(11-14-5-1-2-6-14)22-10-4-3-7-16(22)18-20-19-13-21(18)12-15-8-9-15/h13-16H,1-12H2.
What are the key properties of 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 316.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 87052175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).