1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione

C16H20N2O2 — CID 64956695

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-8-7-11-5-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyBGSOJMBMEJSLLN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.81
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione

1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64956695) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64956695
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-8-7-11-5-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyBGSOJMBMEJSLLN-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-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-(4-bromo-3-methoxyphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 82859150
1-(4-bromo-3,5-dimethylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 107580173
1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64964348
1-(3-bromo-4-methylphenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64970822
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
3-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64960746
1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64956720
1-(2,4-difluorophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64957751
3-ethyl-1-(2-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963296
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
1-(1-benzothiophen-5-yl)-3,3-diethylpiperazine-2,5-dione
CID 65452546
3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
CID 64959294

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 64956695) is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is BGSOJMBMEJSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-16(2)15(20)18(10-14(19)17-16)13-8-7-11-5-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64956695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).