4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine

C24H32N2O4S — CID 90616697

IUPAC4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
SMILESCOC1CCN(C2CCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)CC1
InChIInChI=1S/C24H32N2O4S/c1-19-4-3-5-23(18-19)30-22-6-8-24(9-7-22)31(27,28)26-16-10-20(11-17-26)25-14-12-21(29-2)13-15-25/h3-9,18,20-21H,10-17H2,1-2H3
InChIKeyQEPXXMLNUVGIMA-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.05
Rot. Bonds6

About 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine

4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine (PubChem CID 90616697) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
PubChem CID90616697
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
SMILESCOC1CCN(C2CCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)CC1
InChIInChI=1S/C24H32N2O4S/c1-19-4-3-5-23(18-19)30-22-6-8-24(9-7-22)31(27,28)26-16-10-20(11-17-26)25-14-12-21(29-2)13-15-25/h3-9,18,20-21H,10-17H2,1-2H3
InChIKeyQEPXXMLNUVGIMA-UHFFFAOYSA-N
XLogP4.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
CID 119979765
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
N-methyl-1-[1-[4-(3-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977458
1-[4-(3-methylphenoxy)phenyl]sulfonyl-1,4-diazepane
CID 119963151
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616613
1-[4-(3-methylphenoxy)phenyl]sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594410
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-4-prop-2-ynylpiperidine
CID 170107299
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine (CID 90616697) is 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine is COC1CCN(C2CCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine?
The InChIKey is QEPXXMLNUVGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-19-4-3-5-23(18-19)30-22-6-8-24(9-7-22)31(27,28)26-16-10-20(11-17-26)25-14-12-21(29-2)13-15-25/h3-9,18,20-21H,10-17H2,1-2H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine?
4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine has a molecular weight of 444.60 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90616697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).