8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

C17H26N6O3 — CID 145089580

IUPAC8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=C(CN3CCN(C(=O)C4CC4)CC3)N2C)N(C)C1=O
InChIInChI=1S/C17H26N6O3/c1-19-12(18-14-13(19)16(25)21(3)17(26)20(14)2)10-22-6-8-23(9-7-22)15(24)11-4-5-11/h11,13-14H,4-10H2,1-3H3
InChIKeyJGKQTXJTBWNSLZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.90
Rot. Bonds3

About 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione (PubChem CID 145089580) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
PubChem CID145089580
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=C(CN3CCN(C(=O)C4CC4)CC3)N2C)N(C)C1=O
InChIInChI=1S/C17H26N6O3/c1-19-12(18-14-13(19)16(25)21(3)17(26)20(14)2)10-22-6-8-23(9-7-22)15(24)11-4-5-11/h11,13-14H,4-10H2,1-3H3
InChIKeyJGKQTXJTBWNSLZ-UHFFFAOYSA-N
XLogP-0.90
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74570654
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
CID 166189559
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
CID 154828822
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814715
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione (CID 145089580) is 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione is CN1C(=O)C2C(N=C(CN3CCN(C(=O)C4CC4)CC3)N2C)N(C)C1=O.
What is the InChIKey of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione?
The InChIKey is JGKQTXJTBWNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-19-12(18-14-13(19)16(25)21(3)17(26)20(14)2)10-22-6-8-23(9-7-22)15(24)11-4-5-11/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione?
8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione has a molecular weight of 362.43 g/mol, XLogP of -0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 145089580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).