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

C19H28N2O3S — CID 51124033

IUPAC(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O3S/c1-2-25(23,24)18-9-5-4-8-17(18)19(22)21-14-10-16(11-15-21)20-12-6-3-7-13-20/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyAFZDQLGTSXVTCV-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.57
Rot. Bonds4

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

(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 51124033) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID51124033
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28N2O3S/c1-2-25(23,24)18-9-5-4-8-17(18)19(22)21-14-10-16(11-15-21)20-12-6-3-7-13-20/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyAFZDQLGTSXVTCV-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylsulfonylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 136578600
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 86982540
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51251435
[4-(2,3-dihydro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone
CID 170402706
(2-ethylsulfonylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421223
tert-butyl 4-(2-ethylsulfonylbenzoyl)piperazine-1-carboxylate
CID 38152114
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
(2-ethylsulfonylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124591302
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 51124033) is (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is CCS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is AFZDQLGTSXVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-2-25(23,24)18-9-5-4-8-17(18)19(22)21-14-10-16(11-15-21)20-12-6-3-7-13-20/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3.
What are the key properties of (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 51124033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).