1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione

C17H22N2O2 — CID 64887146

IUPAC1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-17(2)16(21)18-14(13-9-10-13)15(20)19(17)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyAEZWLMYSODWEOC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.09
Rot. Bonds4

About 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione

1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64887146) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64887146
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-3-17(2)16(21)18-14(13-9-10-13)15(20)19(17)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,18,21)
InChIKeyAEZWLMYSODWEOC-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione (CID 64887146) is 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C2CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is AEZWLMYSODWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-17(2)16(21)18-14(13-9-10-13)15(20)19(17)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,18,21).
What are the key properties of 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione?
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64887146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).