3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione

C16H22N2O2 — CID 64902453

IUPAC3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)N(C(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-13-14(19)18(11(2)3)16(4,15(20)17-13)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,17,20)
InChIKeyJZYMJLZHWLHQSQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds3

About 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione

3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64902453) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64902453
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)N(C(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-13-14(19)18(11(2)3)16(4,15(20)17-13)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,17,20)
InChIKeyJZYMJLZHWLHQSQ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-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

3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886030
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
6-cyclopropyl-3-ethyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64900730
1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 80697567
1-butan-2-yl-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 79452512
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 64883494
1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 106440626
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
CID 64879553
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione (CID 64902453) is 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C)(c2ccccc2)N(C(C)C)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is JZYMJLZHWLHQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-13-14(19)18(11(2)3)16(4,15(20)17-13)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,17,20).
What are the key properties of 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64902453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).