N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C18H18Cl2N2O2S — CID 113008520

IUPACN-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H18Cl2N2O2S/c19-15-4-3-13(10-16(15)20)21-18(24)12-5-7-22(8-6-12)17(23)11-14-2-1-9-25-14/h1-4,9-10,12H,5-8,11H2,(H,21,24)
InChIKeyHSVXRDMSDYJUDT-UHFFFAOYSA-N
MW397.33 g/mol
LogP4.47
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 113008520) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID113008520
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC NameN-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H18Cl2N2O2S/c19-15-4-3-13(10-16(15)20)21-18(24)12-5-7-22(8-6-12)17(23)11-14-2-1-9-25-14/h1-4,9-10,12H,5-8,11H2,(H,21,24)
InChIKeyHSVXRDMSDYJUDT-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008331
methyl 4-[[1-(2-thiophen-2-ylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008012
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
N-(1,3-benzodioxol-5-yl)-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 41411099
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119798327
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113006910
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 113008520) is N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is HSVXRDMSDYJUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c19-15-4-3-13(10-16(15)20)21-18(24)12-5-7-22(8-6-12)17(23)11-14-2-1-9-25-14/h1-4,9-10,12H,5-8,11H2,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 4.47, 4 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-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).