1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione

C16H22N2O2 — CID 64887381

IUPAC1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-13-14(19)17-16(3,5-2)15(20)18(13)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,17,19)
InChIKeyXRTZMQNPVDEPNQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.09
Rot. Bonds4

About 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione

1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 64887381) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID64887381
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-4-13-14(19)17-16(3,5-2)15(20)18(13)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,17,19)
InChIKeyXRTZMQNPVDEPNQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3,6-diethyl-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-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879760
1-[(5-bromothiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64886811
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
1-[(4,5-dimethylthiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 65244834
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
1-(2-chloro-6-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 66255501
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608
3,6-diethyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64885090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione (CID 64887381) is 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is XRTZMQNPVDEPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-13-14(19)17-16(3,5-2)15(20)18(13)11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,17,19).
What are the key properties of 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione?
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64887381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).