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

C15H22N4O2 — CID 114532475

IUPAC6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CCc2nccn2C)C1=O
InChIInChI=1S/C15H22N4O2/c1-3-11-15(21)19(8-6-12-16-7-9-18(12)2)13(10-4-5-10)14(20)17-11/h7,9-11,13H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyGRHWVKYOGSVLSX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.48
Rot. Bonds5

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

6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 114532475) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID114532475
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CCc2nccn2C)C1=O
InChIInChI=1S/C15H22N4O2/c1-3-11-15(21)19(8-6-12-16-7-9-18(12)2)13(10-4-5-10)14(20)17-11/h7,9-11,13H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyGRHWVKYOGSVLSX-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 114532459
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093
3,3,7-trimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114532522
1-[(5-chlorothiophen-2-yl)methyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 64901467
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione (CID 114532475) is 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)C(C2CC2)N(CCc2nccn2C)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is GRHWVKYOGSVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-11-15(21)19(8-6-12-16-7-9-18(12)2)13(10-4-5-10)14(20)17-11/h7,9-11,13H,3-6,8H2,1-2H3,(H,17,20).
What are the key properties of 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114532475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).