1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

C16H21BrN2O2 — CID 64962495

IUPAC1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C16H21BrN2O2/c1-4-7-12-16(21)19(13-9-6-5-8-11(13)17)14(10(2)3)15(20)18-12/h5-6,8-10,12,14H,4,7H2,1-3H3,(H,18,20)
InChIKeyOUPUXTHLCDCXSA-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64962495) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64962495
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C16H21BrN2O2/c1-4-7-12-16(21)19(13-9-6-5-8-11(13)17)14(10(2)3)15(20)18-12/h5-6,8-10,12,14H,4,7H2,1-3H3,(H,18,20)
InChIKeyOUPUXTHLCDCXSA-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
1-(3-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64961542
1-(2-bromo-5-methylphenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749874
1-(3-chloro-2-fluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64962900
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64957844

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64962495) is 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is OUPUXTHLCDCXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-7-12-16(21)19(13-9-6-5-8-11(13)17)14(10(2)3)15(20)18-12/h5-6,8-10,12,14H,4,7H2,1-3H3,(H,18,20).
What are the key properties of 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 353.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64962495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).