1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione

C11H16N4O2 — CID 64881186

IUPAC1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C11H16N4O2/c1-9-11(17)15(7-10(16)13-9)5-2-4-14-6-3-12-8-14/h3,6,8-9H,2,4-5,7H2,1H3,(H,13,16)
InChIKeyUXUYSWHFOBGHRO-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.38
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione

1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione (PubChem CID 64881186) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
PubChem CID64881186
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C11H16N4O2/c1-9-11(17)15(7-10(16)13-9)5-2-4-14-6-3-12-8-14/h3,6,8-9H,2,4-5,7H2,1H3,(H,13,16)
InChIKeyUXUYSWHFOBGHRO-UHFFFAOYSA-N
XLogP-0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64881155
1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
CID 64878857
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64872707
(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 92506044
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
4-(3-imidazol-1-ylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074983
1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873840
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione (CID 64881186) is 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(CCCn2ccnc2)C1=O.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is UXUYSWHFOBGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9-11(17)15(7-10(16)13-9)5-2-4-14-6-3-12-8-14/h3,6,8-9H,2,4-5,7H2,1H3,(H,13,16).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64881186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).