2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone

C22H22N2O2 — CID 685759

IUPAC2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(17-26-21-12-6-8-18-7-4-5-11-20(18)21)24-15-13-23(14-16-24)19-9-2-1-3-10-19/h1-12H,13-17H2
InChIKeyNUHAPFZTORCAMT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds4

About 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone

2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 685759) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID685759
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(17-26-21-12-6-8-18-7-4-5-11-20(18)21)24-15-13-23(14-16-24)19-9-2-1-3-10-19/h1-12H,13-17H2
InChIKeyNUHAPFZTORCAMT-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-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

Related Compounds

Naftopidil
CID 4418
Naproanilide
CID 40413
Naftopidil Dihydrochloride
CID 11957660
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
(6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-6-[(naphthalen-2-yloxy)methyl]piperazin-2-one
CID 11214666
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
CID 9955819
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
CID 10672840
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
2-[4-[2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 10838063

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 685759) is 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone is O=C(COc1cccc2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is NUHAPFZTORCAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(17-26-21-12-6-8-18-7-4-5-11-20(18)21)24-15-13-23(14-16-24)19-9-2-1-3-10-19/h1-12H,13-17H2.
What are the key properties of 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 685759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).