1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one

C24H25NO4S — CID 175644281

IUPAC1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one
SMILESCN1CC(COc2ccc3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)CCC1=O
InChIInChI=1S/C24H25NO4S/c1-25-15-17(7-14-23(25)26)16-29-22-13-10-18-5-3-4-6-21(18)24(22)19-8-11-20(12-9-19)30(2,27)28/h3-6,8-13,17H,7,14-16H2,1-2H3
InChIKeyNYUFISWPTZHIAF-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.16
Rot. Bonds5

About 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one

1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one (PubChem CID 175644281) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one
PubChem CID175644281
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one
SMILESCN1CC(COc2ccc3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)CCC1=O
InChIInChI=1S/C24H25NO4S/c1-25-15-17(7-14-23(25)26)16-29-22-13-10-18-5-3-4-6-21(18)24(22)19-8-11-20(12-9-19)30(2,27)28/h3-6,8-13,17H,7,14-16H2,1-2H3
InChIKeyNYUFISWPTZHIAF-UHFFFAOYSA-N
XLogP4.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one (CID 175644281) is 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one is CN1CC(COc2ccc3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)CCC1=O.
What is the InChIKey of 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one?
The InChIKey is NYUFISWPTZHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-25-15-17(7-14-23(25)26)16-29-22-13-10-18-5-3-4-6-21(18)24(22)19-8-11-20(12-9-19)30(2,27)28/h3-6,8-13,17H,7,14-16H2,1-2H3.
What are the key properties of 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one?
1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one has a molecular weight of 423.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 175644281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).