6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64881075

IUPAC6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-15(2)14(19)16-9-13(18)17(15)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyNVTZSTNRCSGQKC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds4

About 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64881075) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64881075
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-15(2)14(19)16-9-13(18)17(15)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyNVTZSTNRCSGQKC-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64879523
1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880110
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
CID 64879343
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
CID 121437389
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64881292
6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879551
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 135011562

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64881075) is 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is NVTZSTNRCSGQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-15(2)14(19)16-9-13(18)17(15)10-11-5-7-12(20-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,19).
What are the key properties of 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64881075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).