methyl 4-(4-benzoylpiperazin-1-yl)-3-(2-methylpropanamido)benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-(2-methylpropanamido)benzoate

Formula: C23H27N3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C(C)C)=C1

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-(2-methylpropanamido)benzoate

InChI: InChI=1S/C23H27N3O4/c1-16(2)21(27)24-19-15-18(23(29)30-3)9-10-20(19)25-11-13-26(14-12-25)22(28)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)

Composition: C (67.46%), H (6.65%), N (10.26%), O (15.63%)

Molar Mass: 409.486

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	409.200156361
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CPSUPVOPJHALHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.57
Topological Polar Surface Area	78.95
Polarizability	43.52
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H27N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00