methyl 1-benzyl-4-oxopiperidine-3-carboxylate

methyl 1-benzyl-4-oxopiperidine-3-carboxylate

CAS: 57611-47-9

Formula: C14H17NO3

SMILES: COC(=O)C1CN(CC2=CC=CC=C2)CCC1=O

IUPAC: methyl 1-benzyl-4-oxopiperidine-3-carboxylate

InChI: InChI=1/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PHTILULPLFUXPS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.14
Topological Polar Surface Area	46.61
Polarizability	26.69
Ring Count	2
Rotatable Bond Count	4

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