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

C22H34N2O3S — CID 17467695

IUPAC(2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCCC3C)CC2)c1C
InChIInChI=1S/C22H34N2O3S/c1-15-14-16(2)19(5)21(18(15)4)28(26,27)23-12-9-20(10-13-23)22(25)24-11-7-6-8-17(24)3/h14,17,20H,6-13H2,1-5H3
InChIKeyCEJPUSMLMRKECH-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.72
Rot. Bonds3

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

(2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 17467695) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID17467695
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC Name(2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCCC3C)CC2)c1C
InChIInChI=1S/C22H34N2O3S/c1-15-14-16(2)19(5)21(18(15)4)28(26,27)23-12-9-20(10-13-23)22(25)24-11-7-6-8-17(24)3/h14,17,20H,6-13H2,1-5H3
InChIKeyCEJPUSMLMRKECH-UHFFFAOYSA-N
XLogP3.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 17467695) is (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCCC3C)CC2)c1C.
What is the InChIKey of (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is CEJPUSMLMRKECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-15-14-16(2)19(5)21(18(15)4)28(26,27)23-12-9-20(10-13-23)22(25)24-11-7-6-8-17(24)3/h14,17,20H,6-13H2,1-5H3.
What are the key properties of (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
(2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 406.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 17467695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).