1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide

C16H22N2O4S — CID 78784819

IUPAC1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C16H22N2O4S/c1-12-4-6-14(7-5-12)23(21,22)10-8-15(19)18-9-2-3-13(11-18)16(17)20/h4-7,13H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyOXGNDIIEGLLVQA-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.88
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide

1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide (PubChem CID 78784819) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
PubChem CID78784819
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C16H22N2O4S/c1-12-4-6-14(7-5-12)23(21,22)10-8-15(19)18-9-2-3-13(11-18)16(17)20/h4-7,13H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyOXGNDIIEGLLVQA-UHFFFAOYSA-N
XLogP0.88
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
(3R)-1-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl]piperidine-3-carboxylic acid
CID 125130420
(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
CID 9406370
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63005902
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide (CID 78784819) is 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)CCC(=O)N2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide?
The InChIKey is OXGNDIIEGLLVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12-4-6-14(7-5-12)23(21,22)10-8-15(19)18-9-2-3-13(11-18)16(17)20/h4-7,13H,2-3,8-11H2,1H3,(H2,17,20).
What are the key properties of 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide?
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 78784819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).