N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-(piperidin-1-yl)acetamide

N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-(piperidin-1-yl)acetamide

CAS: 439121-35-4

Formula: C18H27FN4O

SMILES: CN1CCN(CC1)C1=C(F)C=C(NC(=O)CN2CCCCC2)C=C1

IUPAC: N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-(piperidin-1-yl)acetamide

InChI: InChI=1S/C18H27FN4O/c1-21-9-11-23(12-10-21)17-6-5-15(13-16(17)19)20-18(24)14-22-7-3-2-4-8-22/h5-6,13H,2-4,7-12,14H2,1H3,(H,20,24)

Composition: C (64.64%), H (8.14%), F (5.68%), N (16.75%), O (4.78%)

Molar Mass: 334.439

Atom Count: 51

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	334.216889668
Formal Charge	0
FSP3	0.61
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DHQBVIOPDNNVIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.19
Topological Polar Surface Area	38.82
Polarizability	36.02
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	439121-35-4		$51.35-$86.31$51.35$63.37$86.31