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

C14H17BrN2O2 — CID 64878954

IUPAC1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyFKCBHYBXBMUGBG-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.08
Rot. Bonds3

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

1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64878954) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64878954
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyFKCBHYBXBMUGBG-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (CID 64878954) is 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is FKCBHYBXBMUGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-6-4-5-7-11(10)15/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64878954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).