1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone

C15H22N6O — CID 51089174

IUPAC1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O/c1-3-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19)
InChIKeyVMCXCOJAFTUEMP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone

1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone (PubChem CID 51089174) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
PubChem CID51089174
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H22N6O/c1-3-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19)
InChIKeyVMCXCOJAFTUEMP-UHFFFAOYSA-N
XLogP1.44
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone (CID 51089174) is 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone is CCC1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
The InChIKey is VMCXCOJAFTUEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-11-5-4-6-21(7-11)12(22)8-20(2)15-13-14(17-9-16-13)18-10-19-15/h9-11H,3-8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone?
1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone has a molecular weight of 302.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone is sourced from PubChem (CID 51089174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).