1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

C14H16F2N2O2 — CID 105410252

IUPAC1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-12-13(19)17-8(2)14(20)18(12)7-9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,19)
InChIKeyKIEMIBCYXSRPFW-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.59
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione

1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 105410252) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID105410252
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-12-13(19)17-8(2)14(20)18(12)7-9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,19)
InChIKeyKIEMIBCYXSRPFW-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 79711880
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
1-[(3-bromo-5-fluorophenyl)methyl]-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 79697938
3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64885620
6-ethyl-3-methyl-1-(2,3,5-trifluorophenyl)piperazine-2,5-dione
CID 64969738
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
CID 102908625
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
(3S,6R)-1-[(4-fluorophenyl)methyl]-6-(2-hydroxyethylsulfanylmethyl)-3-methylpiperazine-2,5-dione
CID 57100090
1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875448
1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 64874078

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione (CID 105410252) is 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is KIEMIBCYXSRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-12-13(19)17-8(2)14(20)18(12)7-9-4-10(15)6-11(16)5-9/h4-6,8,12H,3,7H2,1-2H3,(H,17,19).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione?
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 282.29 g/mol, XLogP of 1.59, 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)methyl]-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 105410252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).