1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C18H28N2O3S — CID 138627962

IUPAC1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-15-6-10-19(11-7-15)16-8-12-20(13-9-16)24(21,22)18-5-3-4-17(14-18)23-2/h3-5,14-16H,6-13H2,1-2H3
InChIKeyBMYLKGABPJVYRI-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138627962) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138627962
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-15-6-10-19(11-7-15)16-8-12-20(13-9-16)24(21,22)18-5-3-4-17(14-18)23-2/h3-5,14-16H,6-13H2,1-2H3
InChIKeyBMYLKGABPJVYRI-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138627962) is 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is COc1cccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is BMYLKGABPJVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-6-10-19(11-7-15)16-8-12-20(13-9-16)24(21,22)18-5-3-4-17(14-18)23-2/h3-5,14-16H,6-13H2,1-2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 352.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138627962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).