3-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione

3-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione

Formula: C18H23N3O4

SMILES: CCN1C(=O)CC(N2CCN(CC3=CC=C4OCOC4=C3)CC2)C1=O

IUPAC: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-ethylpyrrolidine-2,5-dione

InChI: InChI=1/C18H23N3O4/c1-2-21-17(22)10-14(18(21)23)20-7-5-19(6-8-20)11-13-3-4-15-16(9-13)25-12-24-15/h3-4,9,14H,2,5-8,10-12H2,1H3

Composition: C (62.59%), H (6.71%), N (12.17%), O (18.53%)

Molar Mass: 345.399

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	345.168856233
Formal Charge	0
FSP3	0.56
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	XNJOSZLDMOGMNH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.42
Topological Polar Surface Area	62.32
Polarizability	35.95
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H23N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00