6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C18H19F3N6O — CID 137158623

IUPAC6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1c1cn[nH]c2cnc3nccc3c12
InChIInChI=1S/C18H19F3N6O/c1-10-2-3-11(17(28)24-9-18(19,20)21)8-27(10)14-7-25-26-13-6-23-16-12(15(13)14)4-5-22-16/h4-7,10-11,26H,2-3,8-9H2,1H3,(H,24,28)
InChIKeyOHTGENAEZHWDJH-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.79
Rot. Bonds3

About 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 137158623) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID137158623
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1c1cn[nH]c2cnc3nccc3c12
InChIInChI=1S/C18H19F3N6O/c1-10-2-3-11(17(28)24-9-18(19,20)21)8-27(10)14-7-25-26-13-6-23-16-12(15(13)14)4-5-22-16/h4-7,10-11,26H,2-3,8-9H2,1H3,(H,24,28)
InChIKeyOHTGENAEZHWDJH-UHFFFAOYSA-N
XLogP2.79
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 137158623) is 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC1CCC(C(=O)NCC(F)(F)F)CN1c1cn[nH]c2cnc3nccc3c12.
What is the InChIKey of 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is OHTGENAEZHWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-10-2-3-11(17(28)24-9-18(19,20)21)8-27(10)14-7-25-26-13-6-23-16-12(15(13)14)4-5-22-16/h4-7,10-11,26H,2-3,8-9H2,1H3,(H,24,28).
What are the key properties of 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 137158623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).