1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C13H18N2O3S — CID 62056913

IUPAC1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-9-4-5-11(19-9)7-14-13(18)15-6-2-3-10(8-15)12(16)17/h4-5,10H,2-3,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRLSVEKQOMLDWOI-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.06
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 62056913) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID62056913
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-9-4-5-11(19-9)7-14-13(18)15-6-2-3-10(8-15)12(16)17/h4-5,10H,2-3,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRLSVEKQOMLDWOI-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methylthiophen-2-yl)methylcarbamoyl]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

(3S)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81123402
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azetidine-3-carboxylic acid
CID 106005643
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122004638
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 62056913) is 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid is Cc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RLSVEKQOMLDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-4-5-11(19-9)7-14-13(18)15-6-2-3-10(8-15)12(16)17/h4-5,10H,2-3,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).