1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(4-nitrobenzoyl)piperazine

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(4-nitrobenzoyl)piperazine

Formula: C19H19N3O5

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1

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

InChI: InChI=1S/C19H19N3O5/c23-19(15-2-4-16(5-3-15)22(24)25)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2

Composition: C (61.78%), H (5.18%), N (11.38%), O (21.66%)

Molar Mass: 369.377

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	369.132470724
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	SPRPZHTWOVZZSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.68
Topological Polar Surface Area	85.15
Polarizability	37.13
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00