4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid

C13H17ClN2O3S — CID 137372825

IUPAC4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H17ClN2O3S/c1-8(9-4-6-16(7-5-9)13(18)19)15-12(17)10-2-3-11(14)20-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeySZDOLUVXGRNNQY-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.91
Rot. Bonds3

About 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid

4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 137372825) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
PubChem CID137372825
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H17ClN2O3S/c1-8(9-4-6-16(7-5-9)13(18)19)15-12(17)10-2-3-11(14)20-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,18,19)
InChIKeySZDOLUVXGRNNQY-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-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

phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373160
(3-fluoro-2-methylphenyl) 4-[(1R)-1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372818
phenyl 4-[(R)-[(5-chlorothiophene-2-carbonyl)amino]-cyclopropylmethyl]piperidine-1-carboxylate
CID 137372964
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373249
4-[(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373245
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 174994554
5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
CID 161296581
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid (CID 137372825) is 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid is CC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is SZDOLUVXGRNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-8(9-4-6-16(7-5-9)13(18)19)15-12(17)10-2-3-11(14)20-10/h2-3,8-9H,4-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid?
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 316.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).