5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide

C19H22N2O2S — CID 118772808

IUPAC5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CCN(c3cccc(C)c3)CC2)cs1
InChIInChI=1S/C19H22N2O2S/c1-13-4-3-5-17(10-13)21-8-6-16(7-9-21)20-19(23)15-11-18(14(2)22)24-12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,23)
InChIKeyKRKSIJKBNGNXAE-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.66
Rot. Bonds4

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

5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 118772808) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID118772808
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CCN(c3cccc(C)c3)CC2)cs1
InChIInChI=1S/C19H22N2O2S/c1-13-4-3-5-17(10-13)21-8-6-16(7-9-21)20-19(23)15-11-18(14(2)22)24-12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,23)
InChIKeyKRKSIJKBNGNXAE-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide (CID 118772808) is 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NC2CCN(c3cccc(C)c3)CC2)cs1.
What is the InChIKey of 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is KRKSIJKBNGNXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-4-3-5-17(10-13)21-8-6-16(7-9-21)20-19(23)15-11-18(14(2)22)24-12-15/h3-5,10-12,16H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide?
5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 118772808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).