1-(3-ethylpentan-2-yl)piperazine-2,5-dione

C11H20N2O2 — CID 64956147

IUPAC1-(3-ethylpentan-2-yl)piperazine-2,5-dione
SMILESCCC(CC)C(C)N1CC(=O)NCC1=O
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)8(3)13-7-10(14)12-6-11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyDMMILUINSSLWBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds4

About 1-(3-ethylpentan-2-yl)piperazine-2,5-dione

1-(3-ethylpentan-2-yl)piperazine-2,5-dione (PubChem CID 64956147) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)piperazine-2,5-dione
PubChem CID64956147
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-ethylpentan-2-yl)piperazine-2,5-dione
SMILESCCC(CC)C(C)N1CC(=O)NCC1=O
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)8(3)13-7-10(14)12-6-11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyDMMILUINSSLWBZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-(3-ethylpentan-2-yl)piperazine-2,5-dione (CID 64956147) is 1-(3-ethylpentan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-ethylpentan-2-yl)piperazine-2,5-dione is CCC(CC)C(C)N1CC(=O)NCC1=O.
What is the InChIKey of 1-(3-ethylpentan-2-yl)piperazine-2,5-dione?
The InChIKey is DMMILUINSSLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-9(5-2)8(3)13-7-10(14)12-6-11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 1-(3-ethylpentan-2-yl)piperazine-2,5-dione?
1-(3-ethylpentan-2-yl)piperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64956147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).