1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

C14H17ClN2O2 — CID 64961652

IUPAC1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-4-12-13(18)16-9(3)14(19)17(12)10-6-5-8(2)11(15)7-10/h5-7,9,12H,4H2,1-3H3,(H,16,18)
InChIKeyDMVJZIDNFHMBQR-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.28
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64961652) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64961652
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-4-12-13(18)16-9(3)14(19)17(12)10-6-5-8(2)11(15)7-10/h5-7,9,12H,4H2,1-3H3,(H,16,18)
InChIKeyDMVJZIDNFHMBQR-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 64961652) is 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is DMVJZIDNFHMBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-12-13(18)16-9(3)14(19)17(12)10-6-5-8(2)11(15)7-10/h5-7,9,12H,4H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64961652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).