6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64965444

IUPAC6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccccc1COC
InChIInChI=1S/C15H20N2O3/c1-4-12-14(18)16-10(2)15(19)17(12)13-8-6-5-7-11(13)9-20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18)
InChIKeyQUYYIUWUEIPQNP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds4

About 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione (PubChem CID 64965444) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
PubChem CID64965444
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccccc1COC
InChIInChI=1S/C15H20N2O3/c1-4-12-14(18)16-10(2)15(19)17(12)13-8-6-5-7-11(13)9-20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18)
InChIKeyQUYYIUWUEIPQNP-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-propyl)-carbamic acid benzyl ester
CID 44382238
Benzyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3431168
Benzyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4234707
Anthranilic acid, N-(dimethylcarbamoylmethyl)-, ethyl ester
CID 583524
Methyl 2-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 892472
N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 3235983
1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2(1H)-one
CID 3242172
4-[(1-Methyl-2-oxo-1,2-dihydroquinolin-4-YL)oxy]-N-(3-methylbutyl)butanamide
CID 3243989
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 5308806
1-Methyl-4-[4-(4-methylpiperazin-1-yl)-4-oxobutoxy]quinolin-2-one
CID 9551322
{(S)-1-[(S)-1-Benzyl-2-(4-piperidin-1-yl-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 10437715
[3-Methyl-1-(2-m-tolylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 10927418

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione (CID 64965444) is 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1ccccc1COC.
What is the InChIKey of 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione?
The InChIKey is QUYYIUWUEIPQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-14(18)16-10(2)15(19)17(12)13-8-6-5-7-11(13)9-20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.46, 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-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64965444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).