1'-benzyl-7-methoxy-3H-spiro[1-benzopyran-2,4'-piperidin]-4-one

1'-benzyl-7-methoxy-3H-spiro[1-benzopyran-2,4'-piperidin]-4-one

CAS: 868361-89-1

Formula: C21H23NO3

SMILES: COC1=CC2=C(C=C1)C(=O)CC1(CCN(CC3=CC=CC=C3)CC1)O2

IUPAC: 1'-benzyl-7-methoxy-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-4-one

InChI: InChI=1S/C21H23NO3/c1-24-17-7-8-18-19(23)14-21(25-20(18)13-17)9-11-22(12-10-21)15-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3

Composition: C (74.75%), H (6.87%), N (4.15%), O (14.22%)

Molar Mass: 337.419

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.167793605
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IUVRAAHOJCKZJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.48
Topological Polar Surface Area	38.77
Polarizability	37.97
Ring Count	4
Rotatable Bond Count	3

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