1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine

C18H28N2O4S — CID 90616602

IUPAC1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-23-16-8-10-19(11-9-16)15-6-12-20(13-7-15)25(21,22)18-5-3-4-17(14-18)24-2/h3-5,14-16H,6-13H2,1-2H3
InChIKeyVWMUDECQVRTBGS-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.96
Rot. Bonds5

About 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine

1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine (PubChem CID 90616602) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
PubChem CID90616602
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-23-16-8-10-19(11-9-16)15-6-12-20(13-7-15)25(21,22)18-5-3-4-17(14-18)24-2/h3-5,14-16H,6-13H2,1-2H3
InChIKeyVWMUDECQVRTBGS-UHFFFAOYSA-N
XLogP1.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
CID 90616697
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616613
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800923
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53084933

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine (CID 90616602) is 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine is COc1cccc(S(=O)(=O)N2CCC(N3CCC(OC)CC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The InChIKey is VWMUDECQVRTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-23-16-8-10-19(11-9-16)15-6-12-20(13-7-15)25(21,22)18-5-3-4-17(14-18)24-2/h3-5,14-16H,6-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine has a molecular weight of 368.50 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine is sourced from PubChem (CID 90616602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).