N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

CAS: 1252187-41-9

Formula: C29H36N2O

SMILES: [H]C12CC3([H])CC(C1)(CC(C2)(C3)C1=CC=CC=C1)C(=O)NC1CCN(CC2=CC=CC=C2)CC1

IUPAC: N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide

InChI: InChI=1/C29H36N2O/c32-27(30-26-11-13-31(14-12-26)20-22-7-3-1-4-8-22)29-18-23-15-24(19-29)17-28(16-23,21-29)25-9-5-2-6-10-25/h1-10,23-24,26H,11-21H2,(H,30,32)

Composition: C (81.27%), H (8.47%), N (6.54%), O (3.73%)

Molar Mass: 428.62

Atom Count: 68

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	428.282763787
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OLLXRRVKVDQNML-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.74
Topological Polar Surface Area	32.34
Polarizability	51.1
Ring Count	6
Rotatable Bond Count	5

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98%	<4 Days	1252187-41-9		$230.85-$624.51$230.85$346.27$624.51