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

C22H22N2O2 — CID 875122

IUPAC2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)24-14-12-23(13-15-24)20-8-2-1-3-9-20/h1-11,16H,12-15,17H2
InChIKeyYLDJHYAHZNOYRJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds4

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

2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 875122) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID875122
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)24-14-12-23(13-15-24)20-8-2-1-3-9-20/h1-11,16H,12-15,17H2
InChIKeyYLDJHYAHZNOYRJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 875122) is 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone is O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is YLDJHYAHZNOYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)24-14-12-23(13-15-24)20-8-2-1-3-9-20/h1-11,16H,12-15,17H2.
What are the key properties of 2-naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone?
2-naphthalen-2-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-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 875122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).