1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid

C14H17NO3S — CID 119167865

IUPAC1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2sccc2C2CC2)C1
InChIInChI=1S/C14H17NO3S/c16-13(12-11(5-7-19-12)9-3-4-9)15-6-1-2-10(8-15)14(17)18/h5,7,9-10H,1-4,6,8H2,(H,17,18)
InChIKeyVIRRYRNQVGFYEP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid

1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119167865) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID119167865
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2sccc2C2CC2)C1
InChIInChI=1S/C14H17NO3S/c16-13(12-11(5-7-19-12)9-3-4-9)15-6-1-2-10(8-15)14(17)18/h5,7,9-10H,1-4,6,8H2,(H,17,18)
InChIKeyVIRRYRNQVGFYEP-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclopropylthiophene-2-carbonyl)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

Related Compounds

(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148455
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 119167865) is 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2sccc2C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VIRRYRNQVGFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13(12-11(5-7-19-12)9-3-4-9)15-6-1-2-10(8-15)14(17)18/h5,7,9-10H,1-4,6,8H2,(H,17,18).
What are the key properties of 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).