1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid

C15H21NO3S — CID 70298452

IUPAC1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(CC(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C15H21NO3S/c1-2-11(13-6-4-8-20-13)9-14(17)16-7-3-5-12(10-16)15(18)19/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,18,19)
InChIKeyGSTGSPJUABRYQN-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid

1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid (PubChem CID 70298452) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid
PubChem CID70298452
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(CC(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C15H21NO3S/c1-2-11(13-6-4-8-20-13)9-14(17)16-7-3-5-12(10-16)15(18)19/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,18,19)
InChIKeyGSTGSPJUABRYQN-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-thiophen-2-ylpentanoyl)piperidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid (CID 70298452) is 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid is CCC(CC(=O)N1CCCC(C(=O)O)C1)c1cccs1.
What is the InChIKey of 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid?
The InChIKey is GSTGSPJUABRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-11(13-6-4-8-20-13)9-14(17)16-7-3-5-12(10-16)15(18)19/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3,(H,18,19).
What are the key properties of 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid?
1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-ylpentanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70298452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).