ethyl 4-[1-(4-methylbenzenesulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-methylbenzenesulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

Formula: C20H29N3O5S

SMILES: CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: ethyl 4-[1-(4-methylbenzenesulfonyl)piperidine-4-carbonyl]piperazine-1-carboxylate

InChI: InChI=1S/C20H29N3O5S/c1-3-28-20(25)22-14-12-21(13-15-22)19(24)17-8-10-23(11-9-17)29(26,27)18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3

Composition: C (56.72%), H (6.90%), N (9.92%), O (18.89%), S (7.57%)

Molar Mass: 423.53

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	423.18279222
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YIAAPNXJEIICQU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.74
Topological Polar Surface Area	87.23
Polarizability	43.03
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H29N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00