1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide

C16H27N5O — CID 72876563

IUPAC1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnn1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(17-8-4-11-21-12-9-18-19-21)14-5-3-10-20(13-14)15-6-1-2-7-15/h9,12,14-15H,1-8,10-11,13H2,(H,17,22)
InChIKeySWJLNJAEJKEOPM-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.44
Rot. Bonds6

About 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide

1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 72876563) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID72876563
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnn1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(17-8-4-11-21-12-9-18-19-21)14-5-3-10-20(13-14)15-6-1-2-7-15/h9,12,14-15H,1-8,10-11,13H2,(H,17,22)
InChIKeySWJLNJAEJKEOPM-UHFFFAOYSA-N
XLogP1.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-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-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide (CID 72876563) is 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCCn1ccnn1)C1CCCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is SWJLNJAEJKEOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(17-8-4-11-21-12-9-18-19-21)14-5-3-10-20(13-14)15-6-1-2-7-15/h9,12,14-15H,1-8,10-11,13H2,(H,17,22).
What are the key properties of 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72876563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).