8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C25H31N3O2 — CID 18441735

IUPAC8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2
InChIInChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
InChIKeyBONFVDJOYDFOEN-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.25
Rot. Bonds3

About 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18441735) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18441735
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2
InChIInChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
InChIKeyBONFVDJOYDFOEN-UHFFFAOYSA-N
XLogP3.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 18441735) is 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2.
What is the InChIKey of 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is BONFVDJOYDFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29).
What are the key properties of 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 405.54 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18441735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).