2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

C21H27F3N2O2 — CID 11574792

IUPAC2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)15-2-4-16(5-3-15)25-12-1-10-20(14-25)11-13-26(19(20)28)17-6-8-18(27)9-7-17/h2-5,17-18,27H,1,6-14H2
InChIKeyJVGFIKORWXEKBS-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11574792) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11574792
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC Name2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)15-2-4-16(5-3-15)25-12-1-10-20(14-25)11-13-26(19(20)28)17-6-8-18(27)9-7-17/h2-5,17-18,27H,1,6-14H2
InChIKeyJVGFIKORWXEKBS-UHFFFAOYSA-N
XLogP3.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (CID 11574792) is 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JVGFIKORWXEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c22-21(23,24)15-2-4-16(5-3-15)25-12-1-10-20(14-25)11-13-26(19(20)28)17-6-8-18(27)9-7-17/h2-5,17-18,27H,1,6-14H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 396.45 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11574792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).