5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one

C15H18N4O — CID 21190260

IUPAC5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one
SMILESCc1nc2cccc3n(CC4CCNCC4)c(=O)c1n23
InChIInChI=1S/C15H18N4O/c1-10-14-15(20)18(9-11-5-7-16-8-6-11)13-4-2-3-12(17-10)19(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyXYQHOBQTDFIENW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds2

About 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one

5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one (PubChem CID 21190260) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one.

Molecular Properties

Compound Name5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one
PubChem CID21190260
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one
SMILESCc1nc2cccc3n(CC4CCNCC4)c(=O)c1n23
InChIInChI=1S/C15H18N4O/c1-10-14-15(20)18(9-11-5-7-16-8-6-11)13-4-2-3-12(17-10)19(13)14/h2-4,11,16H,5-9H2,1H3
InChIKeyXYQHOBQTDFIENW-UHFFFAOYSA-N
XLogP1.40
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[2-[1-(trifluoromethylsulfonyl)piperidin-4-yl]ethyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one;hydrochloride
CID 70213327
5-methyl-2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one
CID 139919009
2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 63768677
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
3-(cyclohexylmethyl)-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527419
4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
CID 22248364
6-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 105479328
3,5-dimethyl-2-piperidin-4-ylimidazo[1,2-a]pyridine
CID 115037404
3-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 15585637
1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
CID 174334866
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one?
The IUPAC name of 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one (CID 21190260) is 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one.
What is the SMILES notation for 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one?
The canonical SMILES for 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one is Cc1nc2cccc3n(CC4CCNCC4)c(=O)c1n23.
What is the InChIKey of 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one?
The InChIKey is XYQHOBQTDFIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-14-15(20)18(9-11-5-7-16-8-6-11)13-4-2-3-12(17-10)19(13)14/h2-4,11,16H,5-9H2,1H3.
What are the key properties of 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one?
5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one has a molecular weight of 270.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperidin-4-ylmethyl)-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1(10),4,6,8-tetraen-3-one is sourced from PubChem (CID 21190260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).