1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione

C11H18N2O3 — CID 79941853

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(O)C2CC2)CC1=O
InChIInChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)5-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3
InChIKeyFPRUIRBVHGKCLY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.55
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione

1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione (PubChem CID 79941853) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione
PubChem CID79941853
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(O)C2CC2)CC1=O
InChIInChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)5-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3
InChIKeyFPRUIRBVHGKCLY-UHFFFAOYSA-N
XLogP-0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione (CID 79941853) is 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CC(O)C2CC2)CC1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione?
The InChIKey is FPRUIRBVHGKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)5-9(14)8-3-4-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione?
1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79941853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).