2-[4-(2-carboxybenzoyl)piperazine-1-carbonyl]benzoic acid

2-[4-(2-carboxybenzoyl)piperazine-1-carbonyl]benzoic acid

Formula: C20H18N2O6

SMILES: OC(=O)C1=CC=CC=C1C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1C(O)=O

IUPAC: 2-[4-(2-carboxybenzoyl)piperazine-1-carbonyl]benzoic acid

InChI: InChI=1S/C20H18N2O6/c23-17(13-5-1-3-7-15(13)19(25)26)21-9-11-22(12-10-21)18(24)14-6-2-4-8-16(14)20(27)28/h1-8H,9-12H2,(H,25,26)(H,27,28)

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 382.372

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.116486308
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GQKZKPFUFFDRPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.43
Topological Polar Surface Area	115.22
Polarizability	36.99
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00