3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H23FN2O4 — CID 66901933

IUPAC3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c1
InChIInChI=1S/C22H23FN2O4/c1-28-18-7-4-6-16(13-18)20(26)24-11-9-22(10-12-24)15-25(21(27)29-22)14-17-5-2-3-8-19(17)23/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGYOWTHGXILHYQV-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.46
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901933) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901933
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c1
InChIInChI=1S/C22H23FN2O4/c1-28-18-7-4-6-16(13-18)20(26)24-11-9-22(10-12-24)15-25(21(27)29-22)14-17-5-2-3-8-19(17)23/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGYOWTHGXILHYQV-UHFFFAOYSA-N
XLogP3.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,6-dichlorobenzoyl)-3-[(2-fluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11992888
8-(2-chloropyridine-4-carbonyl)-3-[(3-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 87197789
2-[[8-(2-chloro-6-fluorobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 66901800
3-[(3,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 15942086
3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 22248288
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone
CID 134792975
8-(3-bromobenzoyl)-3-[(4-tert-butylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902134
[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55572387
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855
[3-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108926851

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901933) is 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GYOWTHGXILHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-28-18-7-4-6-16(13-18)20(26)24-11-9-22(10-12-24)15-25(21(27)29-22)14-17-5-2-3-8-19(17)23/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 398.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).