1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one

C15H21NO4S — CID 60873455

IUPAC1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13H,3,7-10H2,1-2H3
InChIKeyPXUUBMZAWNMMBY-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.08
Rot. Bonds5

About 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one

1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one (PubChem CID 60873455) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
PubChem CID60873455
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13H,3,7-10H2,1-2H3
InChIKeyPXUUBMZAWNMMBY-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 61253737
1-[3-[4-(3-aminopropoxy)piperidin-1-yl]sulfonylphenyl]propan-1-one
CID 119992916
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
4-(3-propanoylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 39447843
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819
1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 70542722
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
CID 119959947
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
methyl 3-[4-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119963710
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one (CID 60873455) is 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one is CCC(=O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one?
The InChIKey is PXUUBMZAWNMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13H,3,7-10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one?
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one has a molecular weight of 311.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 60873455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).