1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one

C20H26F2N2O2 — CID 91912881

IUPAC1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C1C(O)C2(CCCCC2)N1C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H26F2N2O2/c21-16-5-4-14(12-17(16)22)13-23-10-6-15(7-11-23)24-19(26)18(25)20(24)8-2-1-3-9-20/h4-5,12,15,18,25H,1-3,6-11,13H2
InChIKeyQOFFCZHTRSNQFX-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.84
Rot. Bonds3

About 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one

1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (PubChem CID 91912881) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
PubChem CID91912881
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C1C(O)C2(CCCCC2)N1C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H26F2N2O2/c21-16-5-4-14(12-17(16)22)13-23-10-6-15(7-11-23)24-19(26)18(25)20(24)8-2-1-3-9-20/h4-5,12,15,18,25H,1-3,6-11,13H2
InChIKeyQOFFCZHTRSNQFX-UHFFFAOYSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (CID 91912881) is 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is O=C1C(O)C2(CCCCC2)N1C1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The InChIKey is QOFFCZHTRSNQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-16-5-4-14(12-17(16)22)13-23-10-6-15(7-11-23)24-19(26)18(25)20(24)8-2-1-3-9-20/h4-5,12,15,18,25H,1-3,6-11,13H2.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one has a molecular weight of 364.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91912881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).