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

C14H17ClN2O2 — CID 64962753

IUPAC1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-4-14(3)13(19)17(8-12(18)16-14)11-6-5-9(2)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeySUYSONZYTGQDFT-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.28
Rot. Bonds2

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

1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64962753) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64962753
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-4-14(3)13(19)17(8-12(18)16-14)11-6-5-9(2)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeySUYSONZYTGQDFT-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 ≤ 500280.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 64962753) is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(c2ccc(C)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is SUYSONZYTGQDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-14(3)13(19)17(8-12(18)16-14)11-6-5-9(2)7-10(11)15/h5-7H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 280.76 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-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).