3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione

C15H24N4O2 — CID 114532473

IUPAC3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCc1nccn1C
InChIInChI=1S/C15H24N4O2/c1-4-6-12-14(20)17-11(5-2)15(21)19(12)9-7-13-16-8-10-18(13)3/h8,10-12H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyMTCMXTWGYSLUFR-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.87
Rot. Bonds6

About 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione

3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione (PubChem CID 114532473) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
PubChem CID114532473
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCc1nccn1C
InChIInChI=1S/C15H24N4O2/c1-4-6-12-14(20)17-11(5-2)15(21)19(12)9-7-13-16-8-10-18(13)3/h8,10-12H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyMTCMXTWGYSLUFR-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64903177
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 114532459
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione (CID 114532473) is 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1CCc1nccn1C.
What is the InChIKey of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione?
The InChIKey is MTCMXTWGYSLUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-6-12-14(20)17-11(5-2)15(21)19(12)9-7-13-16-8-10-18(13)3/h8,10-12H,4-7,9H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione?
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 114532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).