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

C22H23FN2O4 — CID 155999569

IUPAC4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccccc1C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O4/c1-28-19-6-3-2-5-18(19)21(27)24-12-4-11-22(14-24)15-25(20(26)13-29-22)17-9-7-16(23)8-10-17/h2-3,5-10H,4,11-15H2,1H3
InChIKeyUKAZNODRZNZKRW-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.87
Rot. Bonds3

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

4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999569) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999569
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccccc1C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C22H23FN2O4/c1-28-19-6-3-2-5-18(19)21(27)24-12-4-11-22(14-24)15-25(20(26)13-29-22)17-9-7-16(23)8-10-17/h2-3,5-10H,4,11-15H2,1H3
InChIKeyUKAZNODRZNZKRW-UHFFFAOYSA-N
XLogP2.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-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 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999569) is 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is COc1ccccc1C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UKAZNODRZNZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-28-19-6-3-2-5-18(19)21(27)24-12-4-11-22(14-24)15-25(20(26)13-29-22)17-9-7-16(23)8-10-17/h2-3,5-10H,4,11-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 398.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).