(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone

C18H26N2O3S — CID 91484991

IUPAC(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCCCN2C2CCNCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-24(22,23)16-7-5-14(6-8-16)18(21)17-4-2-3-13-20(17)15-9-11-19-12-10-15/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyQNDDJAYCGZGYRW-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.88
Rot. Bonds4

About (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone

(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone (PubChem CID 91484991) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone
PubChem CID91484991
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCCCN2C2CCNCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-24(22,23)16-7-5-14(6-8-16)18(21)17-4-2-3-13-20(17)15-9-11-19-12-10-15/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyQNDDJAYCGZGYRW-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Methylsulfonyl)phenyl)-3-(piperidin-1-yl)propan-1-one
CID 214232
Ethanone, 2-(methyl(phenylmethyl)amino)-1-(4-(methylsulfonyl)phenyl)-, hydrochloride
CID 41951
1-Propanone, 2-methyl-1-(4-(methylsulfonyl)phenyl)-3-(1-piperidinyl)-, hydrochloride
CID 3053164
8-{[4-(methylsulfonyl)phenyl]acetyl}hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50969988
N-[3-methyl-1-(4-methylsulfonylphenyl)-1-oxobutan-2-yl]benzamide
CID 70688914
SULOCTIDIL_met021
CID 70589720
3-Methyl-4-(4-(methylsulfonyl)benzoyl)piperazin-2-one
CID 44116501
1-(4-Fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]ethanone
CID 24731936
4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 99819157
2-Methyl-1-(4-methylsulfonylphenyl)-3-piperidin-1-ylpropan-1-one
CID 3053165
1-(4-Ethylsulfonylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 3053167
1-(4-Butylsulfonylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 3053175

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone?
The IUPAC name of (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone (CID 91484991) is (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone?
The canonical SMILES for (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone is CS(=O)(=O)c1ccc(C(=O)C2CCCCN2C2CCNCC2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone?
The InChIKey is QNDDJAYCGZGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-24(22,23)16-7-5-14(6-8-16)18(21)17-4-2-3-13-20(17)15-9-11-19-12-10-15/h5-8,15,17,19H,2-4,9-13H2,1H3.
What are the key properties of (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone?
(4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(1-piperidin-4-ylpiperidin-2-yl)methanone is sourced from PubChem (CID 91484991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).