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

C15H18F2N2O2 — CID 64958952

IUPAC1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)12-7-10(16)6-11(17)8-12/h6-9H,4-5H2,1-3H3,(H,18,20)
InChIKeyDCERMKUWOFVBGC-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.37
Rot. Bonds3

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

1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (PubChem CID 64958952) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
PubChem CID64958952
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)12-7-10(16)6-11(17)8-12/h6-9H,4-5H2,1-3H3,(H,18,20)
InChIKeyDCERMKUWOFVBGC-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64958015
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
1-(3-chloro-5-fluorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 107370927
1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64962615
3,3-diethyl-1-(2-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64956351
9-(3-chloro-5-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107370938
1-(2-chloro-4,6-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 83075422
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione (CID 64958952) is 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
The InChIKey is DCERMKUWOFVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-4-15(5-2)14(21)19(9(3)13(20)18-15)12-7-10(16)6-11(17)8-12/h6-9H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione?
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).