9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one

C14H18N4O — CID 137018250

IUPAC9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCC3
InChIInChI=1S/C14H18N4O/c19-13-8-12(9-4-6-15-7-5-9)18-14(16-13)10-2-1-3-11(10)17-18/h8-9,15H,1-7H2,(H,16,19)
InChIKeyRQUVEDKFKMYZAJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.98
Rot. Bonds1

About 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one

9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one (PubChem CID 137018250) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one.

Molecular Properties

Compound Name9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one
PubChem CID137018250
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one
SMILESO=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCC3
InChIInChI=1S/C14H18N4O/c19-13-8-12(9-4-6-15-7-5-9)18-14(16-13)10-2-1-3-11(10)17-18/h8-9,15H,1-7H2,(H,16,19)
InChIKeyRQUVEDKFKMYZAJ-UHFFFAOYSA-N
XLogP0.98
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one with MolForge

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Related Compounds

US10118930, Example 317
CID 137018316
US10118930, Example 8
CID 137018480
US10118930, Example 26
CID 137018653
US10118930, Example 333
CID 137018656
US10118930, Example 435
CID 137018684
US10118930, Example 368
CID 137018693
US10118930, Example 417
CID 137018758
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
CID 162658680
4-methyl-2-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-1H-pyrimidin-6-one
CID 162663255
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526
6-Fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide
CID 163430671
3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;chloride
CID 158152834

Frequently Asked Questions

What is the IUPAC name of 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one?
The IUPAC name of 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one (CID 137018250) is 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one.
What is the SMILES notation for 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one?
The canonical SMILES for 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one is O=c1cc(C2CCNCC2)n2nc3c(c2[nH]1)CCC3.
What is the InChIKey of 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one?
The InChIKey is RQUVEDKFKMYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-13-8-12(9-4-6-15-7-5-9)18-14(16-13)10-2-1-3-11(10)17-18/h8-9,15H,1-7H2,(H,16,19).
What are the key properties of 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one?
9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one has a molecular weight of 258.32 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-4-yl-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9-trien-11-one is sourced from PubChem (CID 137018250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).