(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H16BrN3O — CID 875397

IUPAC(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16BrN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2
InChIKeyWPPKEPPTZDEWGC-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.81
Rot. Bonds2

About (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 875397) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID875397
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16BrN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2
InChIKeyWPPKEPPTZDEWGC-UHFFFAOYSA-N
XLogP2.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone 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 (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 875397) is (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WPPKEPPTZDEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2.
What are the key properties of (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 346.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 875397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).