[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C18H26N2O6S — CID 1327421

IUPAC[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC
InChIInChI=1S/C18H26N2O6S/c1-24-16-4-3-15(13-17(16)25-2)27(22,23)20-7-5-14(6-8-20)18(21)19-9-11-26-12-10-19/h3-4,13-14H,5-12H2,1-2H3
InChIKeyPTKIILLMLUGUJD-UHFFFAOYSA-N
MW398.48 g/mol
LogP0.96
Rot. Bonds5

About [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1327421) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID1327421
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC
InChIInChI=1S/C18H26N2O6S/c1-24-16-4-3-15(13-17(16)25-2)27(22,23)20-7-5-14(6-8-20)18(21)19-9-11-26-12-10-19/h3-4,13-14H,5-12H2,1-2H3
InChIKeyPTKIILLMLUGUJD-UHFFFAOYSA-N
XLogP0.96
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 1327421) is [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is PTKIILLMLUGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-24-16-4-3-15(13-17(16)25-2)27(22,23)20-7-5-14(6-8-20)18(21)19-9-11-26-12-10-19/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 398.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1327421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).