1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione

C15H20N2O3 — CID 102908577

IUPAC1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCc1ccccc1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(2)14(19)17(10-13(18)16-15)12-7-5-4-6-11(12)8-9-20-3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyLFZWYMPKQSXSMV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione

1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 102908577) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID102908577
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCc1ccccc1N1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(2)14(19)17(10-13(18)16-15)12-7-5-4-6-11(12)8-9-20-3/h4-7H,8-10H2,1-3H3,(H,16,18)
InChIKeyLFZWYMPKQSXSMV-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione (CID 102908577) is 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione is COCCc1ccccc1N1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is LFZWYMPKQSXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)14(19)17(10-13(18)16-15)12-7-5-4-6-11(12)8-9-20-3/h4-7H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione?
1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 102908577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).