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

C16H22N2O3 — CID 64874307

IUPAC6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C16H22N2O3/c1-5-16(3)15(20)17-11(2)14(19)18(16)10-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,20)
InChIKeyCCKYOVCQPXOQDO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds4

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

6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64874307) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64874307
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C16H22N2O3/c1-5-16(3)15(20)17-11(2)14(19)18(16)10-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,20)
InChIKeyCCKYOVCQPXOQDO-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 113473194
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874325
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880105
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
3-[(2-methoxyphenyl)methyl]-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064378
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 64874307) is 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C)C(=O)N1Cc1ccccc1OC.
What is the InChIKey of 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is CCKYOVCQPXOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-16(3)15(20)17-11(2)14(19)18(16)10-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,20).
What are the key properties of 6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.71, 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-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64874307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).