8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C24H28FN3O3 — CID 25118090

IUPAC8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCOc1cc(CN2CCC3(CC2)N=C(c2ccccc2)NC3=O)cc(OCC)c1F
InChIInChI=1S/C24H28FN3O3/c1-3-30-19-14-17(15-20(21(19)25)31-4-2)16-28-12-10-24(11-13-28)23(29)26-22(27-24)18-8-6-5-7-9-18/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,26,27,29)
InChIKeyMVSWBSRNEVKXQQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.53
Rot. Bonds7

About 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 25118090) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID25118090
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCOc1cc(CN2CCC3(CC2)N=C(c2ccccc2)NC3=O)cc(OCC)c1F
InChIInChI=1S/C24H28FN3O3/c1-3-30-19-14-17(15-20(21(19)25)31-4-2)16-28-12-10-24(11-13-28)23(29)26-22(27-24)18-8-6-5-7-9-18/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,26,27,29)
InChIKeyMVSWBSRNEVKXQQ-UHFFFAOYSA-N
XLogP3.53
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[3,5-di(propan-2-yloxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118089
8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118086
8-[(5-methylthiophen-2-yl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46997723
8-tert-butyl-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 59165790
8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-phenyl-2,8-diazaspiro[4.5]decane
CID 68720881
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylsulfonylpyridin-2-amine
CID 67400612
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
[1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2,4-dihydroquinoxalin-6-yl] hydrogen carbonate
CID 68524753
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 25133349
4-[7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-oxo-2,7-diazaspiro[3.5]nonan-2-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 175913140
8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029544

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 25118090) is 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCOc1cc(CN2CCC3(CC2)N=C(c2ccccc2)NC3=O)cc(OCC)c1F.
What is the InChIKey of 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is MVSWBSRNEVKXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-3-30-19-14-17(15-20(21(19)25)31-4-2)16-28-12-10-24(11-13-28)23(29)26-22(27-24)18-8-6-5-7-9-18/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,26,27,29).
What are the key properties of 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 425.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-diethoxy-4-fluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 25118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).