1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione

C14H15BrN2O2 — CID 64879430

IUPAC1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2Br)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H15BrN2O2/c15-11-4-2-1-3-10(11)7-17-8-12(18)16-13(14(17)19)9-5-6-9/h1-4,9,13H,5-8H2,(H,16,18)
InChIKeyJEKVNOKWEORHTM-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.69
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione

1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione (PubChem CID 64879430) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
PubChem CID64879430
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2Br)C(=O)C(C2CC2)N1
InChIInChI=1S/C14H15BrN2O2/c15-11-4-2-1-3-10(11)7-17-8-12(18)16-13(14(17)19)9-5-6-9/h1-4,9,13H,5-8H2,(H,16,18)
InChIKeyJEKVNOKWEORHTM-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.69
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]-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione (CID 64879430) is 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione is O=C1CN(Cc2ccccc2Br)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is JEKVNOKWEORHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-4-2-1-3-10(11)7-17-8-12(18)16-13(14(17)19)9-5-6-9/h1-4,9,13H,5-8H2,(H,16,18).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 323.19 g/mol, XLogP of 1.69, 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]-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64879430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).