methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanamido)benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanamido)benzoate

Formula: C24H29N3O4

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

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

InChI: InChI=1S/C24H29N3O4/c1-17(2)15-22(28)25-20-16-19(24(30)31-3)9-10-21(20)26-11-13-27(14-12-26)23(29)18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H,25,28)

Composition: C (68.06%), H (6.90%), N (9.92%), O (15.11%)

Molar Mass: 423.513

Atom Count: 60

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	423.215806426
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GFPMFUFYVLHEJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.14
Topological Polar Surface Area	78.95
Polarizability	45.36
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H29N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00