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

C19H28N2O5S — CID 650255

IUPAC[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O5S/c1-25-17-7-6-16(14-18(17)26-2)27(23,24)21-12-8-15(9-13-21)19(22)20-10-4-3-5-11-20/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyFLCBOJLMOQCENC-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.12
Rot. Bonds5

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

[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 650255) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID650255
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O5S/c1-25-17-7-6-16(14-18(17)26-2)27(23,24)21-12-8-15(9-13-21)19(22)20-10-4-3-5-11-20/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyFLCBOJLMOQCENC-UHFFFAOYSA-N
XLogP2.12
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone (CID 650255) is [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is FLCBOJLMOQCENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-25-17-7-6-16(14-18(17)26-2)27(23,24)21-12-8-15(9-13-21)19(22)20-10-4-3-5-11-20/h6-7,14-15H,3-5,8-13H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 396.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 650255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).