3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64902779

IUPAC3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-13-15(19)17(10(2)14(18)16-13)9-11-6-5-7-12(8-11)20-3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeyKEPPXDCORMWECI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds4

About 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64902779) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64902779
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-13-15(19)17(10(2)14(18)16-13)9-11-6-5-7-12(8-11)20-3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeyKEPPXDCORMWECI-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

3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 95735484
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 107851340
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
CID 64902972
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 102390311
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64902779) is 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(Cc2cccc(OC)c2)C1=O.
What is the InChIKey of 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is KEPPXDCORMWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-13-15(19)17(10(2)14(18)16-13)9-11-6-5-7-12(8-11)20-3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
3-ethyl-1-[(3-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 3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64902779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).