1-pent-4-ynoylpiperidine-4-carboxylic acid

C11H15NO3 — CID 103840880

IUPAC1-pent-4-ynoylpiperidine-4-carboxylic acid
SMILESC#CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H15NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h1,9H,3-8H2,(H,14,15)
InChIKeyHSFJKHRMVIVPHU-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.72
Rot. Bonds3

About 1-pent-4-ynoylpiperidine-4-carboxylic acid

1-pent-4-ynoylpiperidine-4-carboxylic acid (PubChem CID 103840880) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-pent-4-ynoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pent-4-ynoylpiperidine-4-carboxylic acid
PubChem CID103840880
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-pent-4-ynoylpiperidine-4-carboxylic acid
SMILESC#CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H15NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h1,9H,3-8H2,(H,14,15)
InChIKeyHSFJKHRMVIVPHU-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pent-4-ynoylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
1-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-pent-4-ynoylpiperidin-4-one
CID 131153334
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-(7-azabicyclo[2.2.1]heptan-7-yl)pent-4-yn-1-one
CID 130667339
piperidine-1,4-dicarboxylic acid
CID 18542445
1-[2-(2-methylbut-3-yn-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103252086
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
CID 103840808

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pent-4-ynoylpiperidine-4-carboxylic acid (CID 103840880) is 1-pent-4-ynoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pent-4-ynoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pent-4-ynoylpiperidine-4-carboxylic acid is C#CCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-pent-4-ynoylpiperidine-4-carboxylic acid?
The InChIKey is HSFJKHRMVIVPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h1,9H,3-8H2,(H,14,15).
What are the key properties of 1-pent-4-ynoylpiperidine-4-carboxylic acid?
1-pent-4-ynoylpiperidine-4-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 103840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).