2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)propyl]acetamide

2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)propyl]acetamide

CAS: 439108-91-5

Formula: C17H21F3N2O3

SMILES: COC1=CC=C(C=C1)C(CC(=O)N1CCCCC1)NC(=O)C(F)(F)F

IUPAC: 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)propyl]acetamide

InChI: InChI=1/C17H21F3N2O3/c1-25-13-7-5-12(6-8-13)14(21-16(24)17(18,19)20)11-15(23)22-9-3-2-4-10-22/h5-8,14H,2-4,9-11H2,1H3,(H,21,24)

Composition: C (56.98%), H (5.91%), F (15.90%), N (7.82%), O (13.39%)

Molar Mass: 358.361

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	358.150427033
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HIEYOBWPKDNUNH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.66
Topological Polar Surface Area	58.64
Polarizability	32.31
Ring Count	2
Rotatable Bond Count	6

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