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

C10H14N4O2 — CID 64874044

IUPAC1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
SMILESO=C1CN(CCCn2ccnc2)C(=O)CN1
InChIInChI=1S/C10H14N4O2/c15-9-7-14(10(16)6-12-9)4-1-3-13-5-2-11-8-13/h2,5,8H,1,3-4,6-7H2,(H,12,15)
InChIKeyMFYWFNAQIQBIBZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.77
Rot. Bonds4

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

1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione (PubChem CID 64874044) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
PubChem CID64874044
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
SMILESO=C1CN(CCCn2ccnc2)C(=O)CN1
InChIInChI=1S/C10H14N4O2/c15-9-7-14(10(16)6-12-9)4-1-3-13-5-2-11-8-13/h2,5,8H,1,3-4,6-7H2,(H,12,15)
InChIKeyMFYWFNAQIQBIBZ-UHFFFAOYSA-N
XLogP-0.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
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
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
CID 168657179

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione (CID 64874044) is 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione is O=C1CN(CCCn2ccnc2)C(=O)CN1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
The InChIKey is MFYWFNAQIQBIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-7-14(10(16)6-12-9)4-1-3-13-5-2-11-8-13/h2,5,8H,1,3-4,6-7H2,(H,12,15).
What are the key properties of 1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione?
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of -0.77, 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)piperazine-2,5-dione is sourced from PubChem (CID 64874044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).