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

C27H33FN2O — CID 11407510

IUPAC4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)
InChIKeyHQSPTAIHUHMQIB-UHFFFAOYSA-N
MW420.57 g/mol
LogP5.29
Rot. Bonds3

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

4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11407510) has the molecular formula C27H33FN2O and a molecular weight of 420.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11407510
Molecular FormulaC27H33FN2O
Molecular Weight420.57 g/mol
Exact Mass420.26
IUPAC Name4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)
InChIKeyHQSPTAIHUHMQIB-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11407510) is 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HQSPTAIHUHMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 420.57 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11407510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).