3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid

C12H15N3O4S — CID 43171793

IUPAC3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2ccsc2C(=O)O)C1
InChIInChI=1S/C12H15N3O4S/c13-12(19)15-4-1-2-7(6-15)10(16)14-8-3-5-20-9(8)11(17)18/h3,5,7H,1-2,4,6H2,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyJYBQEVWFTZYVMQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.18
Rot. Bonds3

About 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid

3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43171793) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43171793
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)Nc2ccsc2C(=O)O)C1
InChIInChI=1S/C12H15N3O4S/c13-12(19)15-4-1-2-7(6-15)10(16)14-8-3-5-20-9(8)11(17)18/h3,5,7H,1-2,4,6H2,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyJYBQEVWFTZYVMQ-UHFFFAOYSA-N
XLogP1.18
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554291
3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 24624840
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617
(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 52514306

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 43171793) is 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid is NC(=O)N1CCCC(C(=O)Nc2ccsc2C(=O)O)C1.
What is the InChIKey of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is JYBQEVWFTZYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c13-12(19)15-4-1-2-7(6-15)10(16)14-8-3-5-20-9(8)11(17)18/h3,5,7H,1-2,4,6H2,(H2,13,19)(H,14,16)(H,17,18).
What are the key properties of 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43171793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).