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

C17H26N6O — CID 97318615

IUPAC1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCC[C@]1(C)CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C17H26N6O/c1-4-6-17(2)7-5-8-23(10-17)13(24)9-22(3)16-14-15(19-11-18-14)20-12-21-16/h11-12H,4-10H2,1-3H3,(H,18,19,20,21)/t17-/m1/s1
InChIKeyIEYLDXARNMWXKK-QGZVFWFLSA-N
MW330.44 g/mol
LogP2.22
Rot. Bonds5

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

1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone (PubChem CID 97318615) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
PubChem CID97318615
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
SMILESCCC[C@]1(C)CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C17H26N6O/c1-4-6-17(2)7-5-8-23(10-17)13(24)9-22(3)16-14-15(19-11-18-14)20-12-21-16/h11-12H,4-10H2,1-3H3,(H,18,19,20,21)/t17-/m1/s1
InChIKeyIEYLDXARNMWXKK-QGZVFWFLSA-N
XLogP2.22
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The IUPAC name of 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone (CID 97318615) is 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone.
What is the SMILES notation for 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The canonical SMILES for 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone is CCC[C@]1(C)CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
The InChIKey is IEYLDXARNMWXKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-6-17(2)7-5-8-23(10-17)13(24)9-22(3)16-14-15(19-11-18-14)20-12-21-16/h11-12H,4-10H2,1-3H3,(H,18,19,20,21)/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone?
1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone has a molecular weight of 330.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone is sourced from PubChem (CID 97318615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).