8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one

C27H33FN2O2 — CID 21082577

IUPAC8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(F)cc2)CC3)cc1
InChIInChI=1S/C27H33FN2O2/c1-32-22-12-8-20(9-13-22)24-18-29-26(31)27(24)14-16-30(17-15-27)25-5-3-2-4-23(25)19-6-10-21(28)11-7-19/h6-13,23-25H,2-5,14-18H2,1H3,(H,29,31)
InChIKeyYWOLKYQOHPVFSL-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.86
Rot. Bonds4

About 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082577) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082577
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(F)cc2)CC3)cc1
InChIInChI=1S/C27H33FN2O2/c1-32-22-12-8-20(9-13-22)24-18-29-26(31)27(24)14-16-30(17-15-27)25-5-3-2-4-23(25)19-6-10-21(28)11-7-19/h6-13,23-25H,2-5,14-18H2,1H3,(H,29,31)
InChIKeyYWOLKYQOHPVFSL-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895819
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895830
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
4-(4-Fluoro-phenyl)-8-[2-hydroxy-2-(3-methoxy-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 21082547
4-(4-Fluoro-phenyl)-8-[2-hydroxy-2-(4-methoxy-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 21082550
(E)-N-((1S,3R)-3-((4-(4-methoxyphenyl)piperidin-1-yl)methyl)cyclopentyl)-3-(3,4,5-trifluorophenyl)acrylamide
CID 25007995
(E)-3-(3,5-difluorophenyl)-N-((1S,3R)-3-((4-(4-methoxyphenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
CID 25007996
(S)-2-(Cyclohexylmethyl-methyl-amino)-4-methyl-pentanoic acid [(S)-2-(4-benzyloxy-phenyl)-1-(2-piperidin-1-yl-ethylcarbamoyl)-ethyl]-amide
CID 44296747
cHexCH2-N(Me)Leu-Tyr(Bn)-piperidide
CID 44296781
N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-trifluoromethoxy-phenyl)-acetamide
CID 44392142

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 21082577) is 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(F)cc2)CC3)cc1.
What is the InChIKey of 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YWOLKYQOHPVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-32-22-12-8-20(9-13-22)24-18-29-26(31)27(24)14-16-30(17-15-27)25-5-3-2-4-23(25)19-6-10-21(28)11-7-19/h6-13,23-25H,2-5,14-18H2,1H3,(H,29,31).
What are the key properties of 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 436.57 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)cyclohexyl]-4-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).