N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H17ClN2O2S — CID 1075548

IUPACN-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-16(21)12-7-9-20(10-8-12)17(22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyGASSWSXEJRABJD-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.89
Rot. Bonds3

About N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075548) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075548
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-16(21)12-7-9-20(10-8-12)17(22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyGASSWSXEJRABJD-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
N-(1-benzylpiperidin-4-yl)-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 44319043
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
5-chloro-N-((1R,2S)-2-(4-(2-oxopiperidin-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11351302
cis-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzylamino)cyclopentyl)-5-chlorothiophene-2-carboxamide
CID 44432573
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075548) is N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GASSWSXEJRABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-13-3-5-14(6-4-13)19-16(21)12-7-9-20(10-8-12)17(22)15-2-1-11-23-15/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).