N-(2H-1,3-benzodioxol-5-yl)-4-(2H-1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxamide

N-(2H-1,3-benzodioxol-5-yl)-4-(2H-1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxamide

CAS: 866131-96-6

Formula: C20H21N3O5

SMILES: O=C(NC1=CC2=C(OCO2)C=C1)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide

InChI: InChI=1S/C20H21N3O5/c24-20(21-15-2-4-17-19(10-15)28-13-26-17)23-7-5-22(6-8-23)11-14-1-3-16-18(9-14)27-12-25-16/h1-4,9-10H,5-8,11-13H2,(H,21,24)

Composition: C (62.65%), H (5.52%), N (10.96%), O (20.86%)

Molar Mass: 383.404

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.148120788
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	LFCWCQBWNIGBBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.59
Topological Polar Surface Area	72.5
Polarizability	39.07
Ring Count	5
Rotatable Bond Count	3

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