1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide

C14H18BrN3O2 — CID 115999662

IUPAC1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyJFWPEKSTHYQKPO-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.92
Rot. Bonds2

About 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide

1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 115999662) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID115999662
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyJFWPEKSTHYQKPO-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide 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-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide (CID 115999662) is 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is JFWPEKSTHYQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-5-10(7-11(15)6-9)14(20)18-4-3-17-8-12(18)13(19)16-2/h5-7,12,17H,3-4,8H2,1-2H3,(H,16,19).
What are the key properties of 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide?
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 115999662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).