5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

C19H21ClN2O2S — CID 24791218

IUPAC5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C19H21ClN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-16-3-2-10-22(12-16)11-14-4-6-15(20)7-5-14/h4-9,16H,2-3,10-12H2,1H3,(H,21,24)
InChIKeySWENERJSEKPHBF-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.00
Rot. Bonds5

About 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 24791218) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
PubChem CID24791218
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C19H21ClN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-16-3-2-10-22(12-16)11-14-4-6-15(20)7-5-14/h4-9,16H,2-3,10-12H2,1H3,(H,21,24)
InChIKeySWENERJSEKPHBF-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 44432539
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
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Dipeptidyl nitrile inhibitor, 22
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N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[(3-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 16378179

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (CID 24791218) is 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is SWENERJSEKPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-16-3-2-10-22(12-16)11-14-4-6-15(20)7-5-14/h4-9,16H,2-3,10-12H2,1H3,(H,21,24).
What are the key properties of 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).