1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione

C15H18Cl2N2O2 — CID 64961750

IUPAC1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-5-11-15(21)19(12(4-2)14(20)18-11)13-8-9(16)6-7-10(13)17/h6-8,11-12H,3-5H2,1-2H3,(H,18,20)
InChIKeyNNASTQRIVQDJRG-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.40
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione

1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione (PubChem CID 64961750) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
PubChem CID64961750
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-5-11-15(21)19(12(4-2)14(20)18-11)13-8-9(16)6-7-10(13)17/h6-8,11-12H,3-5H2,1-2H3,(H,18,20)
InChIKeyNNASTQRIVQDJRG-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-3,6-diethylpiperazine-2,5-dione
CID 64961428
1-(2,5-dichlorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64961796
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
1-(2,3-difluorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64963885
1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963269
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-(5-chloro-2-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961373
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64963355
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786
1-(4-bromo-2,3-dichlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 107794472
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione (CID 64961750) is 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
The InChIKey is NNASTQRIVQDJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-5-11-15(21)19(12(4-2)14(20)18-11)13-8-9(16)6-7-10(13)17/h6-8,11-12H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione?
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione has a molecular weight of 329.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64961750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).