2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C20H33N5O3 — CID 121118059

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C20H33N5O3/c1-23-20(27)25(16-5-2-3-6-16)19(22-23)15-8-10-24(11-9-15)14-18(26)21-13-17-7-4-12-28-17/h15-17H,2-14H2,1H3,(H,21,26)
InChIKeyQUYWTTVQHOULCF-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.17
Rot. Bonds6

About 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 121118059) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID121118059
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C20H33N5O3/c1-23-20(27)25(16-5-2-3-6-16)19(22-23)15-8-10-24(11-9-15)14-18(26)21-13-17-7-4-12-28-17/h15-17H,2-14H2,1H3,(H,21,26)
InChIKeyQUYWTTVQHOULCF-UHFFFAOYSA-N
XLogP1.17
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide 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-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 121118059) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cn1nc(C2CCN(CC(=O)NCC3CCCO3)CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QUYWTTVQHOULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-23-20(27)25(16-5-2-3-6-16)19(22-23)15-8-10-24(11-9-15)14-18(26)21-13-17-7-4-12-28-17/h15-17H,2-14H2,1H3,(H,21,26).
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 121118059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).