4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine

C24H32N2O2S — CID 138627972

IUPAC4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1
InChIInChI=1S/C24H32N2O2S/c1-19-6-8-21(9-7-19)22-4-3-5-24(18-22)29(27,28)26-16-12-23(13-17-26)25-14-10-20(2)11-15-25/h3-9,18,20,23H,10-17H2,1-2H3
InChIKeyYUQUDVBFUSEBKX-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.55
Rot. Bonds4

About 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine (PubChem CID 138627972) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine
PubChem CID138627972
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1
InChIInChI=1S/C24H32N2O2S/c1-19-6-8-21(9-7-19)22-4-3-5-24(18-22)29(27,28)26-16-12-23(13-17-26)25-14-10-20(2)11-15-25/h3-9,18,20,23H,10-17H2,1-2H3
InChIKeyYUQUDVBFUSEBKX-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine (CID 138627972) is 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine is Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCC(C)CC4)CC3)c2)cc1.
What is the InChIKey of 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The InChIKey is YUQUDVBFUSEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-19-6-8-21(9-7-19)22-4-3-5-24(18-22)29(27,28)26-16-12-23(13-17-26)25-14-10-20(2)11-15-25/h3-9,18,20,23H,10-17H2,1-2H3.
What are the key properties of 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine has a molecular weight of 412.60 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[3-(4-methylphenyl)phenyl]sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 138627972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).