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

C27H34N2O — CID 11463791

IUPAC8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)
InChIKeyCPFDRWBGJJIFAB-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.15
Rot. Bonds3

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

8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11463791) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11463791
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)
InChIKeyCPFDRWBGJJIFAB-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 11463791) is 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(C2(N3CCC4(CC3)C(=O)NCC4c3ccccc3)CCCCC2)cc1.
What is the InChIKey of 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CPFDRWBGJJIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30).
What are the key properties of 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 402.58 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11463791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).