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

C26H31FN2O2 — CID 21082560

IUPAC8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2
InChIInChI=1S/C26H31FN2O2/c27-21-10-6-9-20(17-21)26(31)12-5-4-11-23(26)29-15-13-25(14-16-29)22(18-28-24(25)30)19-7-2-1-3-8-19/h1-3,6-10,17,22-23,31H,4-5,11-16,18H2,(H,28,30)
InChIKeyVTESATXDAMBSLY-UHFFFAOYSA-N
MW422.54 g/mol
LogP3.95
Rot. Bonds3

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

8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082560) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082560
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2
InChIInChI=1S/C26H31FN2O2/c27-21-10-6-9-20(17-21)26(31)12-5-4-11-23(26)29-15-13-25(14-16-29)22(18-28-24(25)30)19-7-2-1-3-8-19/h1-3,6-10,17,22-23,31H,4-5,11-16,18H2,(H,28,30)
InChIKeyVTESATXDAMBSLY-UHFFFAOYSA-N
XLogP3.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 21082560) is 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2.
What is the InChIKey of 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VTESATXDAMBSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-21-10-6-9-20(17-21)26(31)12-5-4-11-23(26)29-15-13-25(14-16-29)22(18-28-24(25)30)19-7-2-1-3-8-19/h1-3,6-10,17,22-23,31H,4-5,11-16,18H2,(H,28,30).
What are the key properties of 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 422.54 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).