1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C15H19BrN2O2 — CID 64965368

IUPAC1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-9(2)14-15(20)17-8-13(19)18(14)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,20)
InChIKeyRDYAKZYXWTVYIR-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.49
Rot. Bonds3

About 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64965368) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64965368
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-9(2)14-15(20)17-8-13(19)18(14)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,20)
InChIKeyRDYAKZYXWTVYIR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965974
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 10937222
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64962250
1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79237918
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880254
1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
CID 64965367
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880063

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64965368) is 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1C(C)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RDYAKZYXWTVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9(2)14-15(20)17-8-13(19)18(14)10(3)11-4-6-12(16)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,17,20).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).