8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one

C22H23F2N3O2 — CID 42823164

IUPAC8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC1NC2(CCN(C(=O)c3ccccc3F)CC2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23F2N3O2/c1-15-20(28)27(14-16-6-8-17(23)9-7-16)22(25-15)10-12-26(13-11-22)21(29)18-4-2-3-5-19(18)24/h2-9,15,25H,10-14H2,1H3
InChIKeyRHZLNSAZBDFLGT-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.92
Rot. Bonds3

About 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one

8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42823164) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42823164
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC1NC2(CCN(C(=O)c3ccccc3F)CC2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23F2N3O2/c1-15-20(28)27(14-16-6-8-17(23)9-7-16)22(25-15)10-12-26(13-11-22)21(29)18-4-2-3-5-19(18)24/h2-9,15,25H,10-14H2,1H3
InChIKeyRHZLNSAZBDFLGT-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(2S)-4-benzyl-8-(4-fluorophenyl)sulfonyl-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145891
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898
(2S)-4-benzyl-N-cyclopropyl-2-methyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 93145823
8-benzoyl-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823935
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
4-benzyl-8-[(3-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42843935
(2S)-2-benzyl-8-(2-fluorobenzoyl)-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145384
8-(1,3-benzodioxole-5-carbonyl)-4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823704
4-(1,3-benzodioxol-5-ylmethyl)-8-(furan-2-carbonyl)-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 83273209
4-[(4-fluorophenyl)methyl]-2-(2-methylsulfanylethyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68842483
4-benzyl-8-(2-chloropyridine-3-carbonyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 87293769
(2-fluorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4744214

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 42823164) is 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one is CC1NC2(CCN(C(=O)c3ccccc3F)CC2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is RHZLNSAZBDFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-15-20(28)27(14-16-6-8-17(23)9-7-16)22(25-15)10-12-26(13-11-22)21(29)18-4-2-3-5-19(18)24/h2-9,15,25H,10-14H2,1H3.
What are the key properties of 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 399.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorobenzoyl)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42823164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).