9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C22H25FN2O2 — CID 134807706

IUPAC9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H25FN2O2/c23-20-9-5-4-8-19(20)17-25-14-15-27-22(21(25)26)10-12-24(13-11-22)16-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyKEWPCVZIVBSTAG-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.22
Rot. Bonds4

About 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134807706) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134807706
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H25FN2O2/c23-20-9-5-4-8-19(20)17-25-14-15-27-22(21(25)26)10-12-24(13-11-22)16-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyKEWPCVZIVBSTAG-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134807706) is 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is O=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is KEWPCVZIVBSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-9-5-4-8-19(20)17-25-14-15-27-22(21(25)26)10-12-24(13-11-22)16-18-6-2-1-3-7-18/h1-9H,10-17H2.
What are the key properties of 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 368.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134807706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).