N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C22H30F3N3O3 — CID 59578093

IUPACN-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCCCN(C)C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C22H30F3N3O3/c1-3-4-5-13-26(2)20(30)27-14-10-21(11-15-27)12-16-28(19(21)29)17-6-8-18(9-7-17)31-22(23,24)25/h6-9H,3-5,10-16H2,1-2H3
InChIKeyCCSDKEQDUSJKHS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.65
Rot. Bonds6

About N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 59578093) has the molecular formula C22H30F3N3O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID59578093
Molecular FormulaC22H30F3N3O3
Molecular Weight441.49 g/mol
Exact Mass441.22
IUPAC NameN-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCCCN(C)C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C22H30F3N3O3/c1-3-4-5-13-26(2)20(30)27-14-10-21(11-15-27)12-16-28(19(21)29)17-6-8-18(9-7-17)31-22(23,24)25/h6-9H,3-5,10-16H2,1-2H3
InChIKeyCCSDKEQDUSJKHS-UHFFFAOYSA-N
XLogP4.65
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-oxo-N-propyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578009
N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578017
N-(3-chlorophenyl)-N-methyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59577983
8-(3-hydroxy-3-methylpentanoyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577958
8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione
CID 53482684
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
(5R,7R,8R)-8-hydroxy-7-propoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546654
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
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 59578093) is N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is CCCCCN(C)C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O.
What is the InChIKey of N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CCSDKEQDUSJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O3/c1-3-4-5-13-26(2)20(30)27-14-10-21(11-15-27)12-16-28(19(21)29)17-6-8-18(9-7-17)31-22(23,24)25/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 59578093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).