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

C15H22N4O2 — CID 64970923

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1nccn1C
InChIInChI=1S/C15H22N4O2/c1-4-11-13(20)17-15(2,10-5-6-10)14(21)19(11)9-12-16-7-8-18(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyNYHKEOVVPJCFOO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.83
Rot. Bonds4

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

3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64970923) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
PubChem CID64970923
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1nccn1C
InChIInChI=1S/C15H22N4O2/c1-4-11-13(20)17-15(2,10-5-6-10)14(21)19(11)9-12-16-7-8-18(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyNYHKEOVVPJCFOO-UHFFFAOYSA-N
XLogP0.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione (CID 64970923) is 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1nccn1C.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is NYHKEOVVPJCFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-11-13(20)17-15(2,10-5-6-10)14(21)19(11)9-12-16-7-8-18(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64970923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).