tert-butyl 4-(4-cyanobenzoyl)piperazine-1-carboxylate

tert-butyl 4-(4-cyanobenzoyl)piperazine-1-carboxylate

Formula: C17H21N3O3

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

IUPAC: tert-butyl 4-(4-cyanobenzoyl)piperazine-1-carboxylate

InChI: InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-10-8-19(9-11-20)15(21)14-6-4-13(12-18)5-7-14/h4-7H,8-11H2,1-3H3

Composition: C (64.74%), H (6.71%), N (13.32%), O (15.22%)

Molar Mass: 315.373

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	315.158291548
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AWCWKIIMNWGBRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.4
Topological Polar Surface Area	73.64
Polarizability	32.76
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H21N3O3		Quote Only