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

C25H30FN3O — CID 18441784

IUPAC1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C25H30FN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)
InChIKeyHIOFFNLYGYBMSJ-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.28
Rot. Bonds3

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

1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18441784) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18441784
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C25H30FN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)
InChIKeyHIOFFNLYGYBMSJ-UHFFFAOYSA-N
XLogP4.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 18441784) is 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCCC1c1ccccc1)CC2.
What is the InChIKey of 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is HIOFFNLYGYBMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 407.53 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18441784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).