4-[4-(4-methoxybenzoyl)piperazin-1-yl]benzonitrile

4-[4-(4-methoxybenzoyl)piperazin-1-yl]benzonitrile

CAS: 478046-64-9

Formula: C19H19N3O2

SMILES: COC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(C=C1)C#N

IUPAC: 4-[4-(4-methoxybenzoyl)piperazin-1-yl]benzonitrile

InChI: InChI=1S/C19H19N3O2/c1-24-18-8-4-16(5-9-18)19(23)22-12-10-21(11-13-22)17-6-2-15(14-20)3-7-17/h2-9H,10-13H2,1H3

Composition: C (71.01%), H (5.96%), N (13.08%), O (9.96%)

Molar Mass: 321.38

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.147726864
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LRIIVXZUYRATHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.66
Topological Polar Surface Area	56.57
Polarizability	34.87
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	478046-64-9		$51.35-$524.40$51.35$63.37$86.31$524.40