1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione

C16H19BrN2O2 — CID 107580268

IUPAC1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1c1cc(C)cc(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-3-13-15(20)18-14(10-4-5-10)16(21)19(13)12-7-9(2)6-11(17)8-12/h6-8,10,13-14H,3-5H2,1-2H3,(H,18,20)
InChIKeyPYATYUAOSONQPN-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione

1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione (PubChem CID 107580268) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
PubChem CID107580268
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1c1cc(C)cc(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-3-13-15(20)18-14(10-4-5-10)16(21)19(13)12-7-9(2)6-11(17)8-12/h6-8,10,13-14H,3-5H2,1-2H3,(H,18,20)
InChIKeyPYATYUAOSONQPN-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
1-[(4-bromophenyl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885048
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64965324
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclopropyl-6-ethyl-1-(2-methoxyphenyl)piperazine-2,5-dione
CID 64956371
1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione
CID 107580277
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885616
1-(3-bromo-5-methylphenyl)-3-cyclopropyl-1,4-diazepane
CID 107580032
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968254
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione (CID 107580268) is 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The InChIKey is PYATYUAOSONQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-13-15(20)18-14(10-4-5-10)16(21)19(13)12-7-9(2)6-11(17)8-12/h6-8,10,13-14H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione has a molecular weight of 351.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 107580268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).