3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione

C16H20N2O3 — CID 64887135

IUPAC3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11-15(19)17-14(12-7-8-12)16(20)18(11)9-10-21-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,17,19)
InChIKeyRUUWQUBXVDPWND-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.19
Rot. Bonds5

About 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione (PubChem CID 64887135) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
PubChem CID64887135
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11-15(19)17-14(12-7-8-12)16(20)18(11)9-10-21-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,17,19)
InChIKeyRUUWQUBXVDPWND-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione (CID 64887135) is 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1CCOc1ccccc1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
The InChIKey is RUUWQUBXVDPWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(19)17-14(12-7-8-12)16(20)18(11)9-10-21-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64887135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).