8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C22H23FN2O3 — CID 155999479

IUPAC8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c23-18-9-7-17(8-10-18)13-20(26)24-12-4-11-22(15-24)16-25(21(27)14-28-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyAKVLELDCHPVRJA-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.79
Rot. Bonds3

About 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999479) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999479
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O3/c23-18-9-7-17(8-10-18)13-20(26)24-12-4-11-22(15-24)16-25(21(27)14-28-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
InChIKeyAKVLELDCHPVRJA-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999479) is 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C(Cc1ccc(F)cc1)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is AKVLELDCHPVRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-18-9-7-17(8-10-18)13-20(26)24-12-4-11-22(15-24)16-25(21(27)14-28-22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2.
What are the key properties of 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).