2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one

C27H31F2N3O — CID 142917299

IUPAC2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2ccc(F)cc2)=NC12CCCC2
InChIInChI=1S/C27H31F2N3O/c28-23-8-4-20(5-9-23)21-12-18-31(19-13-21)16-3-17-32-25(22-6-10-24(29)11-7-22)30-27(26(32)33)14-1-2-15-27/h4-11,21H,1-3,12-19H2
InChIKeyQKOXGPDRDZWREG-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.14
Rot. Bonds6

About 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one

2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 142917299) has the molecular formula C27H31F2N3O and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID142917299
Molecular FormulaC27H31F2N3O
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2ccc(F)cc2)=NC12CCCC2
InChIInChI=1S/C27H31F2N3O/c28-23-8-4-20(5-9-23)21-12-18-31(19-13-21)16-3-17-32-25(22-6-10-24(29)11-7-22)30-27(26(32)33)14-1-2-15-27/h4-11,21H,1-3,12-19H2
InChIKeyQKOXGPDRDZWREG-UHFFFAOYSA-N
XLogP5.14
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-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

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
(2R)-5-methyl-2,6-diphenyl-5,7-diazaspiro[2.4]hept-6-en-4-one
CID 474692
8-(2,6-Difluorobenzyl)-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991230
2,2-diphenyl-7-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 164675215
7,7-Dimethyl-2,2-diphenyl-9-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 164675443
5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one
CID 387713
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one (CID 142917299) is 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one is O=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2ccc(F)cc2)=NC12CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is QKOXGPDRDZWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O/c28-23-8-4-20(5-9-23)21-12-18-31(19-13-21)16-3-17-32-25(22-6-10-24(29)11-7-22)30-27(26(32)33)14-1-2-15-27/h4-11,21H,1-3,12-19H2.
What are the key properties of 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 451.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 142917299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).