1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione

C13H14ClFN2O2 — CID 102620914

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-13(2)12(19)16-6-11(18)17(13)7-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyKZRIGHPMSCTFHX-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.72
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione

1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (PubChem CID 102620914) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
PubChem CID102620914
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCC1(C)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H14ClFN2O2/c1-13(2)12(19)16-6-11(18)17(13)7-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyKZRIGHPMSCTFHX-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 102620919
1-[(4-chloro-2-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 114861256
1-[(3-chloro-4-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 103041845
1-[(2,3-difluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880676
1-[(4-bromophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64879908
1-[(2-chloro-5-fluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 102620817
1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880486
6,6-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
CID 114349670
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 102620935
1-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64879711
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64901100
1-[(3,4-dichlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64879523

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (CID 102620914) is 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is CC1(C)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is KZRIGHPMSCTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-13(2)12(19)16-6-11(18)17(13)7-8-5-9(15)3-4-10(8)14/h3-5H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 284.72 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 102620914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).