(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H21N3O2 — CID 9325257

IUPAC(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O2/c1-26-19-15-17-7-3-2-6-16(17)14-18(19)21(25)24-12-10-23(11-13-24)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3
InChIKeyJKSRMVLPOZPEIZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.21
Rot. Bonds3

About (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 9325257) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID9325257
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O2/c1-26-19-15-17-7-3-2-6-16(17)14-18(19)21(25)24-12-10-23(11-13-24)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3
InChIKeyJKSRMVLPOZPEIZ-UHFFFAOYSA-N
XLogP3.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone 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 (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 9325257) is (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cc2ccccc2cc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JKSRMVLPOZPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-15-17-7-3-2-6-16(17)14-18(19)21(25)24-12-10-23(11-13-24)20-8-4-5-9-22-20/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9325257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).