1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione

C15H17BrN2O2 — CID 64881292

IUPAC1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c1-15(11-4-5-11)14(20)17-8-13(19)18(15)9-10-2-6-12(16)7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyGYRJYPKUMILIRD-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.08
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione

1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 64881292) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID64881292
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c1-15(11-4-5-11)14(20)17-8-13(19)18(15)9-10-2-6-12(16)7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyGYRJYPKUMILIRD-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
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-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (CID 64881292) is 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is GYRJYPKUMILIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(11-4-5-11)14(20)17-8-13(19)18(15)9-10-2-6-12(16)7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20).
What are the key properties of 1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 337.22 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-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64881292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).