1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C16H21ClN2O2 — CID 64965514

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccccc2Cl)C1=O
InChIInChI=1S/C16H21ClN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)10(2)12-8-6-7-9-13(12)17/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyHZOLGHXUBIQLIF-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.92
Rot. Bonds3

About 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64965514) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64965514
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccccc2Cl)C1=O
InChIInChI=1S/C16H21ClN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)10(2)12-8-6-7-9-13(12)17/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyHZOLGHXUBIQLIF-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64965514) is 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C(C)c2ccccc2Cl)C1=O.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is HZOLGHXUBIQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)10(2)12-8-6-7-9-13(12)17/h6-11H,5H2,1-4H3,(H,18,20).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 308.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64965514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).