3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide

C18H20F3N3O3 — CID 126810185

IUPAC3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)10-12-4-6-13(7-5-12)22-16(27)24-11-14(25)23-15(26)17(24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,22,27)(H,23,25,26)
InChIKeyGQVIGBSHOQCEIH-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.98
Rot. Bonds2

About 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide

3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide (PubChem CID 126810185) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide
PubChem CID126810185
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)10-12-4-6-13(7-5-12)22-16(27)24-11-14(25)23-15(26)17(24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,22,27)(H,23,25,26)
InChIKeyGQVIGBSHOQCEIH-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The IUPAC name of 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide (CID 126810185) is 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide.
What is the SMILES notation for 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The canonical SMILES for 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide is O=C1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide?
The InChIKey is GQVIGBSHOQCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c19-18(20,21)10-12-4-6-13(7-5-12)22-16(27)24-11-14(25)23-15(26)17(24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,22,27)(H,23,25,26).
What are the key properties of 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide?
3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazaspiro[5.5]undecane-1-carboxamide is sourced from PubChem (CID 126810185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).