(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone

C20H30N2O3S — CID 4230482

IUPAC(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C20H30N2O3S/c1-15-10-11-18(26(24,25)21-12-5-4-6-13-21)14-19(15)20(23)22-16(2)8-7-9-17(22)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3
InChIKeyGVJXUNJWICYAKE-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.57
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 4230482) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID4230482
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C20H30N2O3S/c1-15-10-11-18(26(24,25)21-12-5-4-6-13-21)14-19(15)20(23)22-16(2)8-7-9-17(22)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3
InChIKeyGVJXUNJWICYAKE-UHFFFAOYSA-N
XLogP3.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone (CID 4230482) is (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C(C)CCCC1C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is GVJXUNJWICYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-10-11-18(26(24,25)21-12-5-4-6-13-21)14-19(15)20(23)22-16(2)8-7-9-17(22)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 378.54 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4230482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).