ethyl 1-benzyl-4-(cyanomethyl)-3-oxopiperidine-4-carboxylate

ethyl 1-benzyl-4-(cyanomethyl)-3-oxopiperidine-4-carboxylate

CAS: 1548292-80-3

Formula: C17H20N2O3

SMILES: CCOC(=O)C1(CC#N)CCN(CC2=CC=CC=C2)CC1=O

IUPAC: ethyl 1-benzyl-4-(cyanomethyl)-3-oxopiperidine-4-carboxylate

InChI: InChI=1/C17H20N2O3/c1-2-22-16(21)17(8-10-18)9-11-19(13-15(17)20)12-14-6-4-3-5-7-14/h3-7H,2,8-9,11-13H2,1H3

Composition: C (67.98%), H (6.71%), N (9.33%), O (15.98%)

Molar Mass: 300.358

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	300.147392512
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GMMTUQKAOHKYSJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.69
Topological Polar Surface Area	70.4
Polarizability	32.07
Ring Count	2
Rotatable Bond Count	6

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