1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione

C15H19ClN2O2 — CID 64962615

IUPAC1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyRXIVXUYPILJLHI-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione

1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (PubChem CID 64962615) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
PubChem CID64962615
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19)
InChIKeyRXIVXUYPILJLHI-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64958015
3,3-diethyl-1-(2-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64956351
1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64962881
1-(2,4-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64957867
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958952
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
1-(4-bromo-2-chlorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64963404
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (CID 64962615) is 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The InChIKey is RXIVXUYPILJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-15(5-2)14(20)18(10(3)13(19)17-15)12-9-7-6-8-11(12)16/h6-10H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione has a molecular weight of 294.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).