11-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 4069995

IUPAC11-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
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)C3
InChIInChI=1S/C20H22F3N5O3/c1-12-3-2-7-28-16(12)25-15-6-10-27(11-14(15)17(28)29)19(31)24-13-4-8-26(9-5-13)18(30)20(21,22)23/h2-3,7,13H,4-6,8-11H2,1H3,(H,24,31)
InChIKeyDFLBDZIMERXIBF-UHFFFAOYSA-N
MW437.42 g/mol
LogP1.62
Rot. Bonds1

About 11-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

11-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 4069995) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 11-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 Name11-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 CID4069995
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name11-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
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)C3
InChIInChI=1S/C20H22F3N5O3/c1-12-3-2-7-28-16(12)25-15-6-10-27(11-14(15)17(28)29)19(31)24-13-4-8-26(9-5-13)18(30)20(21,22)23/h2-3,7,13H,4-6,8-11H2,1H3,(H,24,31)
InChIKeyDFLBDZIMERXIBF-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

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Frequently Asked Questions

What is the IUPAC name of 11-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 11-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 4069995) is 11-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 11-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 11-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 Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)NC1CCN(C(=O)C(F)(F)F)CC1)C3.
What is the InChIKey of 11-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 DFLBDZIMERXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12-3-2-7-28-16(12)25-15-6-10-27(11-14(15)17(28)29)19(31)24-13-4-8-26(9-5-13)18(30)20(21,22)23/h2-3,7,13H,4-6,8-11H2,1H3,(H,24,31).
What are the key properties of 11-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?
11-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 11-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 4069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).