1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide

C15H20N2O4S — CID 33156130

IUPAC1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H20N2O4S/c1-11(18)17-8-6-12(7-9-17)15(19)16-13-4-3-5-14(10-13)22(2,20)21/h3-5,10,12H,6-9H2,1-2H3,(H,16,19)
InChIKeyAZHBMDVNTRWKDQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.29
Rot. Bonds3

About 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 33156130) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID33156130
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H20N2O4S/c1-11(18)17-8-6-12(7-9-17)15(19)16-13-4-3-5-14(10-13)22(2,20)21/h3-5,10,12H,6-9H2,1-2H3,(H,16,19)
InChIKeyAZHBMDVNTRWKDQ-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
CID 75526156
1-(4-methylsulfonylphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 16935188
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide (CID 33156130) is 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is AZHBMDVNTRWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(18)17-8-6-12(7-9-17)15(19)16-13-4-3-5-14(10-13)22(2,20)21/h3-5,10,12H,6-9H2,1-2H3,(H,16,19).
What are the key properties of 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 33156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).