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

C19H25FN2O5 — CID 155999595

IUPAC4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCOCC(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C19H25FN2O5/c1-25-9-10-26-11-17(23)21-8-2-7-19(13-21)14-22(18(24)12-27-19)16-5-3-15(20)4-6-16/h3-6H,2,7-14H2,1H3
InChIKeyAUBGHSXIXWGSPH-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.21
Rot. Bonds6

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

4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999595) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999595
Molecular FormulaC19H25FN2O5
Molecular Weight380.42 g/mol
Exact Mass380.17
IUPAC Name4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCOCC(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C19H25FN2O5/c1-25-9-10-26-11-17(23)21-8-2-7-19(13-21)14-22(18(24)12-27-19)16-5-3-15(20)4-6-16/h3-6H,2,7-14H2,1H3
InChIKeyAUBGHSXIXWGSPH-UHFFFAOYSA-N
XLogP1.21
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-8-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986165
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986157
4-(4-fluorophenyl)-8-(2-methylpyrazole-3-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999577
4-(4-fluorophenyl)-8-(2-methylpyridine-4-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999610
8-[2-(2-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999463

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999595) is 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is COCCOCC(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is AUBGHSXIXWGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5/c1-25-9-10-26-11-17(23)21-8-2-7-19(13-21)14-22(18(24)12-27-19)16-5-3-15(20)4-6-16/h3-6H,2,7-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).