N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H21N3O3S — CID 18225954

IUPACN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-14-7-9-15(10-8-14)21-18(24)16-5-2-3-11-22(16)19(25)17-6-4-12-26-17/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyVHXRTGBIXFPNGE-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.34
Rot. Bonds4

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

N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 18225954) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID18225954
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O3S/c1-13(23)20-14-7-9-15(10-8-14)21-18(24)16-5-2-3-11-22(16)19(25)17-6-4-12-26-17/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyVHXRTGBIXFPNGE-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-(3-fluoro-4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51159772
N-[4-(difluoromethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78773608

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 18225954) is N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is VHXRTGBIXFPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(23)20-14-7-9-15(10-8-14)21-18(24)16-5-2-3-11-22(16)19(25)17-6-4-12-26-17/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 18225954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).