2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H21N3O2 — CID 892054

IUPAC2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(16-26-19-9-5-7-17-6-1-2-8-18(17)19)24-14-12-23(13-15-24)20-10-3-4-11-22-20/h1-11H,12-16H2
InChIKeyPDVBYTQOBHJZJU-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.96
Rot. Bonds4

About 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 892054) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID892054
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1cccc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O2/c25-21(16-26-19-9-5-7-17-6-1-2-8-18(17)19)24-14-12-23(13-15-24)20-10-3-4-11-22-20/h1-11H,12-16H2
InChIKeyPDVBYTQOBHJZJU-UHFFFAOYSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 892054) is 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(COc1cccc2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is PDVBYTQOBHJZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(16-26-19-9-5-7-17-6-1-2-8-18(17)19)24-14-12-23(13-15-24)20-10-3-4-11-22-20/h1-11H,12-16H2.
What are the key properties of 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 347.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 892054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).