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

C15H17F3N2O3 — CID 141316101

IUPAC3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)C(O)CC12CCNCC2
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)23-11-3-1-10(2-4-11)20-12(21)9-14(13(20)22)5-7-19-8-6-14/h1-4,12,19,21H,5-9H2
InChIKeyLDCNNMUHTBXXFZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.01
Rot. Bonds2

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

3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 141316101) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID141316101
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)C(O)CC12CCNCC2
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)23-11-3-1-10(2-4-11)20-12(21)9-14(13(20)22)5-7-19-8-6-14/h1-4,12,19,21H,5-9H2
InChIKeyLDCNNMUHTBXXFZ-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
6-phenyl-2-sulfanylidene-1-[4-(trifluoromethoxy)phenyl]-1,3-diazinan-4-one
CID 2800817
1-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 152515013
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
(5R,7R,8R)-7-ethoxy-8-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546472
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
(5R,7R,8R)-8-hydroxy-7-propoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546654
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 16656274
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 141316101) is 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)C(O)CC12CCNCC2.
What is the InChIKey of 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LDCNNMUHTBXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)23-11-3-1-10(2-4-11)20-12(21)9-14(13(20)22)5-7-19-8-6-14/h1-4,12,19,21H,5-9H2.
What are the key properties of 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 330.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 141316101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).