[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate

C21H25F3N2O4 — CID 52911870

IUPAC[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OC1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C21H25F3N2O4/c22-21(23,24)30-17-5-3-15(4-6-17)26-12-11-20(18(26)27)9-7-16(8-10-20)29-19(28)25-13-14-1-2-14/h3-6,14,16H,1-2,7-13H2,(H,25,28)
InChIKeyXEACEMNELHNCHC-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.39
Rot. Bonds5

About [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate

[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate (PubChem CID 52911870) has the molecular formula C21H25F3N2O4 and a molecular weight of 426.44 g/mol. Its IUPAC name is [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Name[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate
PubChem CID52911870
Molecular FormulaC21H25F3N2O4
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC Name[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate
SMILESO=C(NCC1CC1)OC1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C21H25F3N2O4/c22-21(23,24)30-17-5-3-15(4-6-17)26-12-11-20(18(26)27)9-7-16(8-10-20)29-19(28)25-13-14-1-2-14/h3-6,14,16H,1-2,7-13H2,(H,25,28)
InChIKeyXEACEMNELHNCHC-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate
CID 52911924
[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-cyclopropylcarbamate
CID 52911927
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
1-oxo-N-propyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578009
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
(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
(5R,7R,8R)-8-hydroxy-7-propoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546654
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
8-(3-hydroxy-3-methylpentanoyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577958
8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 56655612

Frequently Asked Questions

What is the IUPAC name of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate?
The IUPAC name of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate (CID 52911870) is [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate?
The canonical SMILES for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate is O=C(NCC1CC1)OC1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O.
What is the InChIKey of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate?
The InChIKey is XEACEMNELHNCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O4/c22-21(23,24)30-17-5-3-15(4-6-17)26-12-11-20(18(26)27)9-7-16(8-10-20)29-19(28)25-13-14-1-2-14/h3-6,14,16H,1-2,7-13H2,(H,25,28).
What are the key properties of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate?
[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate has a molecular weight of 426.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 52911870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).