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

C27H33FN2O2 — CID 11339565

IUPAC4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C27H33FN2O2/c1-32-23-11-7-21(8-12-23)27(13-3-2-4-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)20-5-9-22(28)10-6-20/h5-12,24H,2-4,13-19H2,1H3,(H,29,31)
InChIKeyIENVWFHWBSNCSO-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.99
Rot. Bonds4

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

4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11339565) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11339565
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C27H33FN2O2/c1-32-23-11-7-21(8-12-23)27(13-3-2-4-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)20-5-9-22(28)10-6-20/h5-12,24H,2-4,13-19H2,1H3,(H,29,31)
InChIKeyIENVWFHWBSNCSO-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Idanpramine
CID 58521
(4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
CID 44443035
Cambridge id 7035693
CID 1075488
1-[4-[(3,5-Ditert-butyl-4-methoxyphenyl)methyl]piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10393880
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
8-[2-(4-Fluoro-phenyl)-cyclohexyl]-4-(4-methoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 21082577
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(3-methoxyphenyl)-N-methylcyclopropanecarboxamide
CID 53321002
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-1-(4-methoxyphenyl)-N-methylcyclopropanecarboxamide
CID 53326275
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 58109574
Ropitoin Hydrochloride
CID 41737
1-(4-tert-butylbenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-4-piperidinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11339565) is 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)CCCCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IENVWFHWBSNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-32-23-11-7-21(8-12-23)27(13-3-2-4-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)20-5-9-22(28)10-6-20/h5-12,24H,2-4,13-19H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 436.57 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[1-(4-methoxyphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11339565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).