N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide

C19H22N2O2S — CID 60578146

IUPACN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-3-4-15(11-14(13)2)19(23)21-8-5-17(6-9-21)20-18(22)16-7-10-24-12-16/h3-4,7,10-12,17H,5-6,8-9H2,1-2H3,(H,20,22)
InChIKeyYMRDXDZRVCVSTL-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 60578146) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID60578146
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-3-4-15(11-14(13)2)19(23)21-8-5-17(6-9-21)20-18(22)16-7-10-24-12-16/h3-4,7,10-12,17H,5-6,8-9H2,1-2H3,(H,20,22)
InChIKeyYMRDXDZRVCVSTL-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 56513205

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide (CID 60578146) is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is YMRDXDZRVCVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-3-4-15(11-14(13)2)19(23)21-8-5-17(6-9-21)20-18(22)16-7-10-24-12-16/h3-4,7,10-12,17H,5-6,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 60578146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).