3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione

C16H20N2O2 — CID 64967320

IUPAC3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CC2c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyPFMXNBUDOZTIJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione

3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione (PubChem CID 64967320) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
PubChem CID64967320
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CC2c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyPFMXNBUDOZTIJT-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione (CID 64967320) is 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(C2CC2c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione?
The InChIKey is PFMXNBUDOZTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione is sourced from PubChem (CID 64967320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).