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

C25H29F2N3O2 — CID 11669379

IUPAC1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCC[C@@]1(O)c1ccc(F)cc1)CC2
InChIInChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22?,25-/m1/s1
InChIKeyRMOCKQNODIYQGC-NRWPOFLRSA-N
MW441.52 g/mol
LogP3.52
Rot. Bonds3

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

1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 11669379) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID11669379
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCC[C@@]1(O)c1ccc(F)cc1)CC2
InChIInChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22?,25-/m1/s1
InChIKeyRMOCKQNODIYQGC-NRWPOFLRSA-N
XLogP3.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 11669379) is 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccc(F)cc2)C12CCN(C1CCCC[C@@]1(O)c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is RMOCKQNODIYQGC-NRWPOFLRSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22?,25-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 441.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-[(2R)-2-(4-fluorophenyl)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 11669379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).