2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

C15H23ClN6O3 — CID 120575064

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C15H22N6O3.ClH/c1-9-10(5-4-6-16-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;/h8-10,16H,4-7H2,1-3H3,(H,18,22);1H
InChIKeyPDAQBSCPHBDXOD-UHFFFAOYSA-N
MW370.84 g/mol
LogP-0.89
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (PubChem CID 120575064) has the molecular formula C15H23ClN6O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
PubChem CID120575064
Molecular FormulaC15H23ClN6O3
Molecular Weight370.84 g/mol
Exact Mass370.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C15H22N6O3.ClH/c1-9-10(5-4-6-16-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;/h8-10,16H,4-7H2,1-3H3,(H,18,22);1H
InChIKeyPDAQBSCPHBDXOD-UHFFFAOYSA-N
XLogP-0.89
TPSA102.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide
CID 4875317
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 5135668
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4240792
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]acetamide
CID 122635820
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3854113
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
1,3-dimethyl-7-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]purine-2,6-dione
CID 119472318
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (CID 120575064) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is CC1NCCCC1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The InChIKey is PDAQBSCPHBDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3.ClH/c1-9-10(5-4-6-16-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;/h8-10,16H,4-7H2,1-3H3,(H,18,22);1H.
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120575064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).