1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione

C12H20N2O2 — CID 64958453

IUPAC1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-10-12(16)14(8(2)11(15)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyOGLXRKSZBNEEHH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.05
Rot. Bonds2

About 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione

1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64958453) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64958453
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-10-12(16)14(8(2)11(15)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyOGLXRKSZBNEEHH-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione (CID 64958453) is 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is OGLXRKSZBNEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10-12(16)14(8(2)11(15)13-10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione?
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).