[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H26N2O5S — CID 1093354

IUPAC[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O5S/c1-24-15-5-6-16(25-2)17(13-15)26(22,23)20-11-7-14(8-12-20)18(21)19-9-3-4-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyPPPXCKDRMVBSGX-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.73
Rot. Bonds5

About [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1093354) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID1093354
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O5S/c1-24-15-5-6-16(25-2)17(13-15)26(22,23)20-11-7-14(8-12-20)18(21)19-9-3-4-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyPPPXCKDRMVBSGX-UHFFFAOYSA-N
XLogP1.73
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 1093354) is [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PPPXCKDRMVBSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-24-15-5-6-16(25-2)17(13-15)26(22,23)20-11-7-14(8-12-20)18(21)19-9-3-4-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 382.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1093354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).