2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

C17H19BrN2O2 — CID 1301012

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C17H19BrN2O2/c1-19-8-10-20(11-9-19)16(21)12-22-15-7-6-13-4-2-3-5-14(13)17(15)18/h2-7H,8-12H2,1H3
InChIKeyXOKVCMNMNPYGPD-UHFFFAOYSA-N
MW363.25 g/mol
LogP2.76
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 1301012) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID1301012
Molecular FormulaC17H19BrN2O2
Molecular Weight363.25 g/mol
Exact Mass362.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C17H19BrN2O2/c1-19-8-10-20(11-9-19)16(21)12-22-15-7-6-13-4-2-3-5-14(13)17(15)18/h2-7H,8-12H2,1H3
InChIKeyXOKVCMNMNPYGPD-UHFFFAOYSA-N
XLogP2.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone 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 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (CID 1301012) is 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XOKVCMNMNPYGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-19-8-10-20(11-9-19)16(21)12-22-15-7-6-13-4-2-3-5-14(13)17(15)18/h2-7H,8-12H2,1H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 363.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1301012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).