N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H17ClN2O2S — CID 1075442

IUPACN-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-1-4-14(11-13)19-16(21)12-6-8-20(9-7-12)17(22)15-5-2-10-23-15/h1-5,10-12H,6-9H2,(H,19,21)
InChIKeyJOZWHODRYVUUAX-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.89
Rot. Bonds3

About N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075442) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075442
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-13-3-1-4-14(11-13)19-16(21)12-6-8-20(9-7-12)17(22)15-5-2-10-23-15/h1-5,10-12H,6-9H2,(H,19,21)
InChIKeyJOZWHODRYVUUAX-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
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861
AJ-292/14128010
CID 669834
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
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-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075442) is N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JOZWHODRYVUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-13-3-1-4-14(11-13)19-16(21)12-6-8-20(9-7-12)17(22)15-5-2-10-23-15/h1-5,10-12H,6-9H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(3-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-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).