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

C28H32F3N3O2 — CID 142917212

IUPAC3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC12CCCC2
InChIInChI=1S/C28H32F3N3O2/c29-28(30,31)23-10-8-20(9-11-23)21-12-16-33(17-13-21)18-24(35)19-34-25(22-6-2-1-3-7-22)32-27(26(34)36)14-4-5-15-27/h1-3,6-11,21,24,35H,4-5,12-19H2
InChIKeyIEINEDQPVVVUPQ-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.85
Rot. Bonds6

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

3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 142917212) has the molecular formula C28H32F3N3O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID142917212
Molecular FormulaC28H32F3N3O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC Name3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESO=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC12CCCC2
InChIInChI=1S/C28H32F3N3O2/c29-28(30,31)23-10-8-20(9-11-23)21-12-16-33(17-13-21)18-24(35)19-34-25(22-6-2-1-3-7-22)32-27(26(34)36)14-4-5-15-27/h1-3,6-11,21,24,35H,4-5,12-19H2
InChIKeyIEINEDQPVVVUPQ-UHFFFAOYSA-N
XLogP4.85
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 69909045
6-[[1-(Cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 89993381
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917241
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917252
3-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917254
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one
CID 142917256
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 142917280
2-(4-Fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142917299
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
CID 142917328
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917356
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one
CID 142917370
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one
CID 142917373

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 142917212) is 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one is O=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC12CCCC2.
What is the InChIKey of 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is IEINEDQPVVVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2/c29-28(30,31)23-10-8-20(9-11-23)21-12-16-33(17-13-21)18-24(35)19-34-25(22-6-2-1-3-7-22)32-27(26(34)36)14-4-5-15-27/h1-3,6-11,21,24,35H,4-5,12-19H2.
What are the key properties of 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one?
3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 499.58 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 142917212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).