9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one

C20H26F2N2O2 — CID 72872762

IUPAC9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H26F2N2O2/c21-16-9-15(10-17(22)11-16)12-23-6-2-18(3-7-23)24-13-20(4-1-19(24)25)5-8-26-14-20/h9-11,18H,1-8,12-14H2
InChIKeyXRKPBQGGMMIJAG-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.96
Rot. Bonds3

About 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72872762) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72872762
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H26F2N2O2/c21-16-9-15(10-17(22)11-16)12-23-6-2-18(3-7-23)24-13-20(4-1-19(24)25)5-8-26-14-20/h9-11,18H,1-8,12-14H2
InChIKeyXRKPBQGGMMIJAG-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72872762) is 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CCC2(CCOC2)CN1C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is XRKPBQGGMMIJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-16-9-15(10-17(22)11-16)12-23-6-2-18(3-7-23)24-13-20(4-1-19(24)25)5-8-26-14-20/h9-11,18H,1-8,12-14H2.
What are the key properties of 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 364.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72872762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).