1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid

C15H17NO2S — CID 4313757

IUPAC1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc3ccccc3s2)C1
InChIInChI=1S/C15H17NO2S/c17-15(18)12-5-3-7-16(9-12)10-13-8-11-4-1-2-6-14(11)19-13/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,17,18)
InChIKeyCVEUFYGLDLCPAI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.20
Rot. Bonds3

About 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid

1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 4313757) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID4313757
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc3ccccc3s2)C1
InChIInChI=1S/C15H17NO2S/c17-15(18)12-5-3-7-16(9-12)10-13-8-11-4-1-2-6-14(11)19-13/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,17,18)
InChIKeyCVEUFYGLDLCPAI-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-ylmethyl)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

2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
CID 97160286
1-(1-benzothiophen-2-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124474
(6S)-1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepane-6-carboxamide
CID 124970979
1-[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
CID 126467047
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 26340342
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 45219517
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid (CID 4313757) is 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cc3ccccc3s2)C1.
What is the InChIKey of 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is CVEUFYGLDLCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(18)12-5-3-7-16(9-12)10-13-8-11-4-1-2-6-14(11)19-13/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,17,18).
What are the key properties of 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid?
1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 4313757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).