2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

C24H27FN2O3 — CID 155873955

IUPAC2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-16-18-5-7-20(8-6-18)23(29)26-11-9-24(10-12-26)14-22(28)27(17-24)15-19-3-2-4-21(25)13-19/h2-8,13H,9-12,14-17H2,1H3
InChIKeyKSAUUECMZXJVNI-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.63
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155873955) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155873955
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1
InChIInChI=1S/C24H27FN2O3/c1-30-16-18-5-7-20(8-6-18)23(29)26-11-9-24(10-12-26)14-22(28)27(17-24)15-19-3-2-4-21(25)13-19/h2-8,13H,9-12,14-17H2,1H3
InChIKeyKSAUUECMZXJVNI-UHFFFAOYSA-N
XLogP3.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686668
8-(4,6-dichloropyridine-3-carbonyl)-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870779
2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873502
2-[(4-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131691683
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
CID 134076632
(1S)-8-(4-fluorobenzoyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 164636487
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72856538

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 155873955) is 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one is COCc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KSAUUECMZXJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-30-16-18-5-7-20(8-6-18)23(29)26-11-9-24(10-12-26)14-22(28)27(17-24)15-19-3-2-4-21(25)13-19/h2-8,13H,9-12,14-17H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 410.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155873955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).