N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide

C20H25N3O2S — CID 47550268

IUPACN-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-14-9-15(2)11-18(10-14)21-19(24)12-23-6-3-17(4-7-23)22-20(25)16-5-8-26-13-16/h5,8-11,13,17H,3-4,6-7,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJGWMWJBBVGGDEC-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.20
Rot. Bonds5

About N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47550268) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47550268
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C20H25N3O2S/c1-14-9-15(2)11-18(10-14)21-19(24)12-23-6-3-17(4-7-23)22-20(25)16-5-8-26-13-16/h5,8-11,13,17H,3-4,6-7,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJGWMWJBBVGGDEC-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549640
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
N-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550206
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47550268) is N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide is Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1.
What is the InChIKey of N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is JGWMWJBBVGGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-9-15(2)11-18(10-14)21-19(24)12-23-6-3-17(4-7-23)22-20(25)16-5-8-26-13-16/h5,8-11,13,17H,3-4,6-7,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47550268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).