(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

C23H36N2O3S — CID 17461622

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)CC(C)C3)CC2)c1C
InChIInChI=1S/C23H36N2O3S/c1-15-11-16(2)14-24(13-15)23(26)21-7-9-25(10-8-21)29(27,28)22-19(5)17(3)12-18(4)20(22)6/h12,15-16,21H,7-11,13-14H2,1-6H3
InChIKeyOQJLBTFIJSSOIT-UHFFFAOYSA-N
MW420.62 g/mol
LogP3.83
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 17461622) has the molecular formula C23H36N2O3S and a molecular weight of 420.62 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID17461622
Molecular FormulaC23H36N2O3S
Molecular Weight420.62 g/mol
Exact Mass420.24
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)CC(C)C3)CC2)c1C
InChIInChI=1S/C23H36N2O3S/c1-15-11-16(2)14-24(13-15)23(26)21-7-9-25(10-8-21)29(27,28)22-19(5)17(3)12-18(4)20(22)6/h12,15-16,21H,7-11,13-14H2,1-6H3
InChIKeyOQJLBTFIJSSOIT-UHFFFAOYSA-N
XLogP3.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
4-Benzyl-1-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperidine
CID 3245774
N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3319692
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
[1-(3,4-Dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 17465292
1-Morpholin-4-yl-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 2477744
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787
Azocan-1-yl-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24687334
(4-Methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 40726998
1-(2,3,4-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 975257
Ethyl 4-[2-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 16504497

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 17461622) is (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)CC(C)C3)CC2)c1C.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is OQJLBTFIJSSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3S/c1-15-11-16(2)14-24(13-15)23(26)21-7-9-25(10-8-21)29(27,28)22-19(5)17(3)12-18(4)20(22)6/h12,15-16,21H,7-11,13-14H2,1-6H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 420.62 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 17461622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).