N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-3-phenylpropanamide

N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-3-phenylpropanamide

CAS: 1775527-43-9

Formula: C20H23F3N4O

SMILES: CC1=NC(=CC(=N1)C(F)(F)F)N1CCC(CC1)NC(=O)CCC1=CC=CC=C1

IUPAC: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-3-phenylpropanamide

InChI: InChI=1S/C20H23F3N4O/c1-14-24-17(20(21,22)23)13-18(25-14)27-11-9-16(10-12-27)26-19(28)8-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,26,28)

Composition: C (61.21%), H (5.91%), F (14.52%), N (14.28%), O (4.08%)

Molar Mass: 392.426

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	392.182395866
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	COEKDPXSUMDVEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.84
Topological Polar Surface Area	58.12
Polarizability	37.3
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	1775527-43-9		$51.35-$86.31$51.35$63.37$86.31