N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C20H23N3O3S — CID 78887255

IUPACN-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-18(24)21-14-8-10-15(11-9-14)22-19(25)16-6-3-4-12-23(16)20(26)17-7-5-13-27-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZUMZGQIXFZBAHZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78887255) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78887255
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-18(24)21-14-8-10-15(11-9-14)22-19(25)16-6-3-4-12-23(16)20(26)17-7-5-13-27-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZUMZGQIXFZBAHZ-UHFFFAOYSA-N
XLogP3.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
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-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46580849
(2S)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939965
(2S)-N-(6-oxo-1-propyl-3-pyridinyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51960189
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
(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
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78887255) is N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ZUMZGQIXFZBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-18(24)21-14-8-10-15(11-9-14)22-19(25)16-6-3-4-12-23(16)20(26)17-7-5-13-27-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78887255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).