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N-[2-acetyl-4-(3-methylpiperidin-1-yl)phenyl]prop-2-enamide

N-[2-acetyl-4-(3-methylpiperidin-1-yl)phenyl]prop-2-enamide

CAS: 2270918-79-9

Formula: C17H22N2O2

SMILES: CC1CCCN(C1)C1=CC=C(NC(=O)C=C)C(=C1)C(C)=O

IUPAC: N-[2-acetyl-4-(3-methylpiperidin-1-yl)phenyl]prop-2-enamide

InChI: InChI=1/C17H22N2O2/c1-4-17(21)18-16-8-7-14(10-15(16)13(3)20)19-9-5-6-12(2)11-19/h4,7-8,10,12H,1,5-6,9,11H2,2-3H3,(H,18,21)

Composition: C (71.30%), H (7.74%), N (9.78%), O (11.17%)

Molar Mass: 286.375

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 286.168127956
Formal Charge 0
FSP3 0.41
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XLGNWXMDGSYFIJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.01
Topological Polar Surface Area 49.41
Polarizability 32
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2270918-79-9 $51.35-$86.31$51.35$63.37$86.31
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