3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one

C14H19NO3S — CID 121456160

IUPAC3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
SMILESCCC1CN(c2ccc(S(C)(=O)=O)cc2)CCC1=O
InChIInChI=1S/C14H19NO3S/c1-3-11-10-15(9-8-14(11)16)12-4-6-13(7-5-12)19(2,17)18/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRTCSAXWHPLSPER-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.90
Rot. Bonds3

About 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one

3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one (PubChem CID 121456160) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
PubChem CID121456160
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
SMILESCCC1CN(c2ccc(S(C)(=O)=O)cc2)CCC1=O
InChIInChI=1S/C14H19NO3S/c1-3-11-10-15(9-8-14(11)16)12-4-6-13(7-5-12)19(2,17)18/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRTCSAXWHPLSPER-UHFFFAOYSA-N
XLogP1.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-(4-methylsulfonylphenyl)morpholine
CID 81209851
N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
(1R,6S,7S)-3-(4-methylsulfonylphenyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254242
4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine
CID 133452191
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166604975
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one (CID 121456160) is 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one is CCC1CN(c2ccc(S(C)(=O)=O)cc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one?
The InChIKey is RTCSAXWHPLSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-11-10-15(9-8-14(11)16)12-4-6-13(7-5-12)19(2,17)18/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one?
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one has a molecular weight of 281.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one is sourced from PubChem (CID 121456160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).