4-(2-Methoxyphenyl)-N-2-pyridinyl-1-piperazineacetamide - CAS 146714-63-8

Catalog:	BB060079
Product Name:	4-(2-Methoxyphenyl)-N-2-pyridinyl-1-piperazineacetamide
CAS:	146714-63-8
Synonyms:	4-(2-Methoxyphenyl)-N-2-pyridinyl-1-piperazineacetamide; 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide; 2-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(pyridin-2-yl)acetamide; 2-[4-(2-Methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-yl)acetamide; 2-[4-(2-Methoxyphenyl)-1-piperazinyl]-N-(2-pyridyl)acetamide

Technical Data

IUPAC Name:	2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
Description:	Used in the preparation of WAY 100635 (W49865), a dopamine D4 receptor.
Molecular Weight:	326.39
Molecular Formula:	C18H22N4O2
Canonical SMILES:	COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=CC=N3
InChI:	InChI=1S/C18H22N4O2/c1-24-16-7-3-2-6-15(16)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChI Key:	DBPWHBFPTPHVLC-UHFFFAOYSA-N
Melting Point:	73-75ºC
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Pale Beige to Light Brown Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere

Complexity:	399
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	326.17427596
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	326.17427596
Rotatable Bond Count:	5
Topological Polar Surface Area:	57.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2