14-methyl-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

C20H22F3N5O3 — CID 4251243

IUPAC14-methyl-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
SMILESCc1cccc2nc3c(c(=O)n12)CN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)CC3
InChIInChI=1S/C20H22F3N5O3/c1-12-3-2-4-16-25-15-7-10-27(11-14(15)17(29)28(12)16)19(31)24-13-5-8-26(9-6-13)18(30)20(21,22)23/h2-4,13H,5-11H2,1H3,(H,24,31)
InChIKeyQGHUWBHXAURVMA-UHFFFAOYSA-N
MW437.42 g/mol
LogP1.62
Rot. Bonds1

About 14-methyl-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

14-methyl-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 4251243) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 14-methyl-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 Name14-methyl-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 CID4251243
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name14-methyl-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
SMILESCc1cccc2nc3c(c(=O)n12)CN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)CC3
InChIInChI=1S/C20H22F3N5O3/c1-12-3-2-4-16-25-15-7-10-27(11-14(15)17(29)28(12)16)19(31)24-13-5-8-26(9-6-13)18(30)20(21,22)23/h2-4,13H,5-11H2,1H3,(H,24,31)
InChIKeyQGHUWBHXAURVMA-UHFFFAOYSA-N
XLogP1.62
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 14-methyl-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 14-methyl-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 14-methyl-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 4251243) is 14-methyl-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 14-methyl-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 14-methyl-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 Cc1cccc2nc3c(c(=O)n12)CN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)CC3.
What is the InChIKey of 14-methyl-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 QGHUWBHXAURVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12-3-2-4-16-25-15-7-10-27(11-14(15)17(29)28(12)16)19(31)24-13-5-8-26(9-6-13)18(30)20(21,22)23/h2-4,13H,5-11H2,1H3,(H,24,31).
What are the key properties of 14-methyl-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?
14-methyl-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 437.42 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-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 4251243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).