1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide

C16H27N5O2 — CID 42397172

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCN(C3CCCC3)CC2)nn1
InChIInChI=1S/C16H27N5O2/c1-23-11-8-17-16(22)15-12-21(19-18-15)14-6-9-20(10-7-14)13-4-2-3-5-13/h12-14H,2-11H2,1H3,(H,17,22)
InChIKeyUXFIDMXJFYVJRU-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.23
Rot. Bonds6

About 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide

1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 42397172) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID42397172
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCN(C3CCCC3)CC2)nn1
InChIInChI=1S/C16H27N5O2/c1-23-11-8-17-16(22)15-12-21(19-18-15)14-6-9-20(10-7-14)13-4-2-3-5-13/h12-14H,2-11H2,1H3,(H,17,22)
InChIKeyUXFIDMXJFYVJRU-UHFFFAOYSA-N
XLogP1.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide 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-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide (CID 42397172) is 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide is COCCNC(=O)c1cn(C2CCN(C3CCCC3)CC2)nn1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is UXFIDMXJFYVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-23-11-8-17-16(22)15-12-21(19-18-15)14-6-9-20(10-7-14)13-4-2-3-5-13/h12-14H,2-11H2,1H3,(H,17,22).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide?
1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 42397172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).