6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione

C15H20N2O3 — CID 64879658

IUPAC6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-12-15(19)16-8-14(18)17(12)9-11-7-10(2)5-6-13(11)20-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyXMKAJRRUXMHOAS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.24
Rot. Bonds4

About 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione

6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879658) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64879658
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-12-15(19)16-8-14(18)17(12)9-11-7-10(2)5-6-13(11)20-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyXMKAJRRUXMHOAS-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 64970020
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875448
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258780
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159054

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione (CID 64879658) is 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1cc(C)ccc1OC.
What is the InChIKey of 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is XMKAJRRUXMHOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-15(19)16-8-14(18)17(12)9-11-7-10(2)5-6-13(11)20-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione?
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).