(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H19N3O2 — CID 789878

IUPAC(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-5-14(6-8-15)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyJGEQKAPUIBGVKY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds3

About (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 789878) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID789878
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-5-14(6-8-15)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3
InChIKeyJGEQKAPUIBGVKY-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 789878) is (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JGEQKAPUIBGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-7-5-14(6-8-15)17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 789878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).