2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone

C31H34N4O2 — CID 10672840

IUPAC2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
SMILESCN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1
InChIInChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
InChIKeyYQYCCALLKWCCSO-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.47
Rot. Bonds5

About 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone

2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone (PubChem CID 10672840) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
PubChem CID10672840
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
SMILESCN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1
InChIInChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
InChIKeyYQYCCALLKWCCSO-UHFFFAOYSA-N
XLogP4.47
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-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-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone (CID 10672840) is 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone is CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6ccccc56)CC4)cc23)CC1.
What is the InChIKey of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone?
The InChIKey is YQYCCALLKWCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3.
What are the key properties of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone?
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone has a molecular weight of 494.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 10672840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).