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

C17H17BrN2O2S — CID 42946615

IUPACN-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H17BrN2O2S/c18-13-5-7-14(8-6-13)19-16(21)12-3-1-9-20(11-12)17(22)15-4-2-10-23-15/h2,4-8,10,12H,1,3,9,11H2,(H,19,21)
InChIKeyWMLBWXYJOVMKBT-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.00
Rot. Bonds3

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

N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42946615) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42946615
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H17BrN2O2S/c18-13-5-7-14(8-6-13)19-16(21)12-3-1-9-20(11-12)17(22)15-4-2-10-23-15/h2,4-8,10,12H,1,3,9,11H2,(H,19,21)
InChIKeyWMLBWXYJOVMKBT-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42946615) is N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is WMLBWXYJOVMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c18-13-5-7-14(8-6-13)19-16(21)12-3-1-9-20(11-12)17(22)15-4-2-10-23-15/h2,4-8,10,12H,1,3,9,11H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42946615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).