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

C13H20N4O2 — CID 64878857

IUPAC1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C13H20N4O2/c1-2-4-11-13(19)17(9-12(18)15-11)7-3-6-16-8-5-14-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,15,18)
InChIKeyMKXKXYZRKUSBGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.40
Rot. Bonds6

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

1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 64878857) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID64878857
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C13H20N4O2/c1-2-4-11-13(19)17(9-12(18)15-11)7-3-6-16-8-5-14-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,15,18)
InChIKeyMKXKXYZRKUSBGW-UHFFFAOYSA-N
XLogP0.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.40
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-methylpiperazine-2,5-dione
CID 64881186
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79351163
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64879792
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine-2,5-dione
CID 106733709
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 92506044
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione (CID 64878857) is 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CCCn2ccnc2)C1=O.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is MKXKXYZRKUSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-4-11-13(19)17(9-12(18)15-11)7-3-6-16-8-5-14-10-16/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,15,18).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione?
1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.40, 6 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-propylpiperazine-2,5-dione is sourced from PubChem (CID 64878857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).