1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione

C14H17BrN2O2 — CID 64878706

IUPAC1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19)
InChIKeyNAEWGEIWLLOPGE-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.08
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione

1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 64878706) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID64878706
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19)
InChIKeyNAEWGEIWLLOPGE-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione (CID 64878706) is 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is NAEWGEIWLLOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19).
What are the key properties of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64878706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).