11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one

C15H15N5O2 — CID 74440870

IUPAC11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one
SMILESO=C1N=Nc2nc(CN3CCC(O)CC3)nc3cccc1c23
InChIInChI=1S/C15H15N5O2/c21-9-4-6-20(7-5-9)8-12-16-11-3-1-2-10-13(11)14(17-12)18-19-15(10)22/h1-3,9,21H,4-8H2
InChIKeyXKCSBTSNWBINBI-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.82
Rot. Bonds2

About 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one

11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one (PubChem CID 74440870) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one.

Molecular Properties

Compound Name11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one
PubChem CID74440870
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one
SMILESO=C1N=Nc2nc(CN3CCC(O)CC3)nc3cccc1c23
InChIInChI=1S/C15H15N5O2/c21-9-4-6-20(7-5-9)8-12-16-11-3-1-2-10-13(11)14(17-12)18-19-15(10)22/h1-3,9,21H,4-8H2
InChIKeyXKCSBTSNWBINBI-UHFFFAOYSA-N
XLogP1.82
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one?
The IUPAC name of 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one (CID 74440870) is 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one.
What is the SMILES notation for 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one?
The canonical SMILES for 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one is O=C1N=Nc2nc(CN3CCC(O)CC3)nc3cccc1c23.
What is the InChIKey of 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one?
The InChIKey is XKCSBTSNWBINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-9-4-6-20(7-5-9)8-12-16-11-3-1-2-10-13(11)14(17-12)18-19-15(10)22/h1-3,9,21H,4-8H2.
What are the key properties of 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one?
11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one has a molecular weight of 297.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-hydroxypiperidin-1-yl)methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,5(13),6,8,10-hexaen-4-one is sourced from PubChem (CID 74440870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).