1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylic acid

1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylic acid

CAS: 439111-10-1

Formula: C20H27NO4

SMILES: CCOC1=CC=C(C=C1)C1C(CCC(=O)N1C1CCCCC1)C(O)=O

IUPAC: 1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylic acid

InChI: InChI=1/C20H27NO4/c1-2-25-16-10-8-14(9-11-16)19-17(20(23)24)12-13-18(22)21(19)15-6-4-3-5-7-15/h8-11,15,17,19H,2-7,12-13H2,1H3,(H,23,24)

Composition: C (69.54%), H (7.88%), N (4.05%), O (18.53%)

Molar Mass: 345.439

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	345.194008353
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IGAXLNWFPCVKLI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.35
Topological Polar Surface Area	66.84
Polarizability	37.05
Ring Count	3
Rotatable Bond Count	5

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90%	<2 Days	439111-10-1		$51.35-$524.40$51.35$63.37$86.31$524.40