1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione

C16H20N2O3 — CID 79220379

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC1COc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-13-15(19)17-10(2)16(20)18(13)8-11-9-21-14-7-5-4-6-12(11)14/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyPJAWYEBVNFPBET-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.29
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 79220379) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID79220379
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC1COc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-3-13-15(19)17-10(2)16(20)18(13)8-11-9-21-14-7-5-4-6-12(11)14/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyPJAWYEBVNFPBET-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 79218362
6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione
CID 79220386
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
CID 107344933
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 66394517
(5S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 34754535
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 79220379) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is PJAWYEBVNFPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-13-15(19)17-10(2)16(20)18(13)8-11-9-21-14-7-5-4-6-12(11)14/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 79220379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).