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

C18H17ClN2O4S — CID 119250444

IUPAC1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN2O4S/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25)
InChIKeyZDXVGMWTTVTRFD-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.59
Rot. Bonds4

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

1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250444) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250444
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN2O4S/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25)
InChIKeyZDXVGMWTTVTRFD-UHFFFAOYSA-N
XLogP3.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250668
1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119250444) is 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is ZDXVGMWTTVTRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25).
What are the key properties of 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 392.86 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).