5-piperidin-1-ylpent-3-ynoic acid

C10H15NO2 — CID 115015881

IUPAC5-piperidin-1-ylpent-3-ynoic acid
SMILESO=C(O)CC#CCN1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-9H2,(H,12,13)
InChIKeyLRNFDYNQVCOPLG-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds2

About 5-piperidin-1-ylpent-3-ynoic acid

5-piperidin-1-ylpent-3-ynoic acid (PubChem CID 115015881) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-piperidin-1-ylpent-3-ynoic acid.

Molecular Properties

Compound Name5-piperidin-1-ylpent-3-ynoic acid
PubChem CID115015881
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-piperidin-1-ylpent-3-ynoic acid
SMILESO=C(O)CC#CCN1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-9H2,(H,12,13)
InChIKeyLRNFDYNQVCOPLG-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-piperidin-1-ylpent-3-ynoic acid 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 5-piperidin-1-ylpent-3-ynoic acid?
The IUPAC name of 5-piperidin-1-ylpent-3-ynoic acid (CID 115015881) is 5-piperidin-1-ylpent-3-ynoic acid.
What is the SMILES notation for 5-piperidin-1-ylpent-3-ynoic acid?
The canonical SMILES for 5-piperidin-1-ylpent-3-ynoic acid is O=C(O)CC#CCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpent-3-ynoic acid?
The InChIKey is LRNFDYNQVCOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-9H2,(H,12,13).
What are the key properties of 5-piperidin-1-ylpent-3-ynoic acid?
5-piperidin-1-ylpent-3-ynoic acid has a molecular weight of 181.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpent-3-ynoic acid is sourced from PubChem (CID 115015881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).