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

C26H30ClFN2O2 — CID 11282509

IUPAC8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C26H30ClFN2O2/c27-20-5-3-4-19(16-20)26(32)11-2-1-6-23(26)30-14-12-25(13-15-30)22(17-29-24(25)31)18-7-9-21(28)10-8-18/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
InChIKeyWWZNPMCMNQTFRR-UHFFFAOYSA-N
MW456.99 g/mol
LogP4.61
Rot. Bonds3

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

8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11282509) has the molecular formula C26H30ClFN2O2 and a molecular weight of 456.99 g/mol. Its IUPAC name is 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11282509
Molecular FormulaC26H30ClFN2O2
Molecular Weight456.99 g/mol
Exact Mass456.20
IUPAC Name8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C26H30ClFN2O2/c27-20-5-3-4-19(16-20)26(32)11-2-1-6-23(26)30-14-12-25(13-15-30)22(17-29-24(25)31)18-7-9-21(28)10-8-18/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
InChIKeyWWZNPMCMNQTFRR-UHFFFAOYSA-N
XLogP4.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.99
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11282509) is 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1cccc(Cl)c1)CC2.
What is the InChIKey of 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WWZNPMCMNQTFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN2O2/c27-20-5-3-4-19(16-20)26(32)11-2-1-6-23(26)30-14-12-25(13-15-30)22(17-29-24(25)31)18-7-9-21(28)10-8-18/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31).
What are the key properties of 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 456.99 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-chlorophenyl)-2-hydroxycyclohexyl]-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11282509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).