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

C14H20N4O2 — CID 64880578

IUPAC3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C14H20N4O2/c1-14(11-3-4-11)13(20)18(9-12(19)16-14)7-2-6-17-8-5-15-10-17/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,16,19)
InChIKeyRUZOQPCOYYXSTO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.40
Rot. Bonds5

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

3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione (PubChem CID 64880578) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
PubChem CID64880578
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(CCCn2ccnc2)C1=O
InChIInChI=1S/C14H20N4O2/c1-14(11-3-4-11)13(20)18(9-12(19)16-14)7-2-6-17-8-5-15-10-17/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,16,19)
InChIKeyRUZOQPCOYYXSTO-UHFFFAOYSA-N
XLogP0.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.40
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-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
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-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
CID 113480612
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969163
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64965764
3,6-diethyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64885090
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880374

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione (CID 64880578) is 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(CCCn2ccnc2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is RUZOQPCOYYXSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(11-3-4-11)13(20)18(9-12(19)16-14)7-2-6-17-8-5-15-10-17/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,16,19).
What are the key properties of 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).