2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

C19H20F3N5O3 — CID 4148423

IUPAC2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C19H20F3N5O3/c20-19(21,22)17(29)25-8-4-12(5-9-25)23-18(30)26-10-6-14-13(11-26)16(28)27-7-2-1-3-15(27)24-14/h1-3,7,12H,4-6,8-11H2,(H,23,30)
InChIKeyAJEQLGOSPWRXTI-UHFFFAOYSA-N
MW423.40 g/mol
LogP1.32
Rot. Bonds1

About 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (PubChem CID 4148423) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
PubChem CID4148423
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc3ccccn3c(=O)c2C1
InChIInChI=1S/C19H20F3N5O3/c20-19(21,22)17(29)25-8-4-12(5-9-25)23-18(30)26-10-6-14-13(11-26)16(28)27-7-2-1-3-15(27)24-14/h1-3,7,12H,4-6,8-11H2,(H,23,30)
InChIKeyAJEQLGOSPWRXTI-UHFFFAOYSA-N
XLogP1.32
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The IUPAC name of 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (CID 4148423) is 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is O=C(NC1CCN(C(=O)C(F)(F)F)CC1)N1CCc2nc3ccccn3c(=O)c2C1.
What is the InChIKey of 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The InChIKey is AJEQLGOSPWRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c20-19(21,22)17(29)25-8-4-12(5-9-25)23-18(30)26-10-6-14-13(11-26)16(28)27-7-2-1-3-15(27)24-14/h1-3,7,12H,4-6,8-11H2,(H,23,30).
What are the key properties of 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is sourced from PubChem (CID 4148423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).