1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

C19H25FN2O5S — CID 91912899

IUPAC1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C12CCOCC2
InChIInChI=1S/C19H25FN2O5S/c1-26-17-18(23)22(19(17)7-11-27-12-8-19)15-5-9-21(10-6-15)28(24,25)16-4-2-3-14(20)13-16/h2-4,13,15,17H,5-12H2,1H3
InChIKeyNBIGYXTUFQVBRJ-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.39
Rot. Bonds4

About 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912899) has the molecular formula C19H25FN2O5S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91912899
Molecular FormulaC19H25FN2O5S
Molecular Weight412.48 g/mol
Exact Mass412.15
IUPAC Name1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C12CCOCC2
InChIInChI=1S/C19H25FN2O5S/c1-26-17-18(23)22(19(17)7-11-27-12-8-19)15-5-9-21(10-6-15)28(24,25)16-4-2-3-14(20)13-16/h2-4,13,15,17H,5-12H2,1H3
InChIKeyNBIGYXTUFQVBRJ-UHFFFAOYSA-N
XLogP1.39
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91912899) is 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is COC1C(=O)N(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C12CCOCC2.
What is the InChIKey of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is NBIGYXTUFQVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5S/c1-26-17-18(23)22(19(17)7-11-27-12-8-19)15-5-9-21(10-6-15)28(24,25)16-4-2-3-14(20)13-16/h2-4,13,15,17H,5-12H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 412.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).