3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

C22H26N2O4S — CID 24790658

IUPAC3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)c1
InChIInChI=1S/C22H26N2O4S/c1-15(25)19-7-8-20(29-19)22(27)24-12-10-16(11-13-24)6-9-21(26)23-17-4-3-5-18(14-17)28-2/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,23,26)
InChIKeyOBNZBEYJKWRWKQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.23
Rot. Bonds7

About 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 24790658) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID24790658
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)c1
InChIInChI=1S/C22H26N2O4S/c1-15(25)19-7-8-20(29-19)22(27)24-12-10-16(11-13-24)6-9-21(26)23-17-4-3-5-18(14-17)28-2/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,23,26)
InChIKeyOBNZBEYJKWRWKQ-UHFFFAOYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
N-(3-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322906
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
2,2,2-Trifluoro-1-(5-(4-(3-methoxyphenyl)piperazine-1-carbonyl)thiophen-2-yl)ethanone
CID 44589698
5-(2-fluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60165269
N,5-bis(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196493
N-(3-methoxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196497
N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196599
5-(3-(Dimethylamino)phenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196601

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (CID 24790658) is 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)c1.
What is the InChIKey of 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is OBNZBEYJKWRWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15(25)19-7-8-20(29-19)22(27)24-12-10-16(11-13-24)6-9-21(26)23-17-4-3-5-18(14-17)28-2/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,23,26).
What are the key properties of 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 414.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-acetylthiophene-2-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24790658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).