1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione

C16H21ClN2O2 — CID 64962763

IUPAC1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)cc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-5-12-14(20)18-16(4,6-2)15(21)19(12)13-8-7-10(3)9-11(13)17/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeySILQMPRQCNMPNR-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione

1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 64962763) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID64962763
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)cc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-5-12-14(20)18-16(4,6-2)15(21)19(12)13-8-7-10(3)9-11(13)17/h7-9,12H,5-6H2,1-4H3,(H,18,20)
InChIKeySILQMPRQCNMPNR-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64963273
1-(2-chloro-6-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 66255501
3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
CID 79046562
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64958611
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 82758894
6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960018
6-ethyl-1-(4-fluoro-2-iodophenyl)-3,3-dimethylpiperazine-2,5-dione
CID 79771426
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione (CID 64962763) is 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is SILQMPRQCNMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-5-12-14(20)18-16(4,6-2)15(21)19(12)13-8-7-10(3)9-11(13)17/h7-9,12H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 308.81 g/mol, XLogP of 3.06, 3 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)-3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64962763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).