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

C26H30F2N2O2 — CID 11293598

IUPAC4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2
InChIInChI=1S/C26H30F2N2O2/c27-20-9-7-18(8-10-20)22-17-29-24(31)25(22)12-14-30(15-13-25)23-6-1-2-11-26(23,32)19-4-3-5-21(28)16-19/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
InChIKeyQLYGIDCUEOROKH-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.09
Rot. Bonds3

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

4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11293598) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11293598
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC Name4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2
InChIInChI=1S/C26H30F2N2O2/c27-20-9-7-18(8-10-20)22-17-29-24(31)25(22)12-14-30(15-13-25)23-6-1-2-11-26(23,32)19-4-3-5-21(28)16-19/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
InChIKeyQLYGIDCUEOROKH-UHFFFAOYSA-N
XLogP4.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11293598) is 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(F)c1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QLYGIDCUEOROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O2/c27-20-9-7-18(8-10-20)22-17-29-24(31)25(22)12-14-30(15-13-25)23-6-1-2-11-26(23,32)19-4-3-5-21(28)16-19/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 440.53 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxycyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11293598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).