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

C17H16Cl2N2O2S — CID 42946658

IUPACN-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-6-5-12(9-14(13)19)20-16(22)11-3-1-7-21(10-11)17(23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,20,22)
InChIKeyANBGOIHEMLIOQV-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.55
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42946658) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42946658
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-6-5-12(9-14(13)19)20-16(22)11-3-1-7-21(10-11)17(23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,20,22)
InChIKeyANBGOIHEMLIOQV-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-(4-fluoro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134034204
(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 25337021
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46636011
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
N-(1-ethylindol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47083781
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42946658) is N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ANBGOIHEMLIOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-13-6-5-12(9-14(13)19)20-16(22)11-3-1-7-21(10-11)17(23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 383.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42946658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).