1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C16H21ClN2O2 — CID 64964510

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-4-13-14(20)18-16(2,3)15(21)19(13)10-9-11-5-7-12(17)8-6-11/h5-8,13H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyGMQSLDAZXBTQCW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64964510) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64964510
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-4-13-14(20)18-16(2,3)15(21)19(13)10-9-11-5-7-12(17)8-6-11/h5-8,13H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyGMQSLDAZXBTQCW-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64964510) is 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is GMQSLDAZXBTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-13-14(20)18-16(2,3)15(21)19(13)10-9-11-5-7-12(17)8-6-11/h5-8,13H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 308.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64964510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).