1-(3-phenylpropanesulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-(3-phenylpropanesulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Formula: C21H27N3O3S

SMILES: O=C(NCC1=CC=NC=C1)C1CCN(CC1)S(=O)(=O)CCCC1=CC=CC=C1

IUPAC: 1-(3-phenylpropanesulfonyl)-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide

InChI: InChI=1S/C21H27N3O3S/c25-21(23-17-19-8-12-22-13-9-19)20-10-14-24(15-11-20)28(26,27)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,12-13,20H,4,7,10-11,14-17H2,(H,23,25)

Composition: C (62.82%), H (6.78%), N (10.47%), O (11.95%), S (7.98%)

Molar Mass: 401.53

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.177312915
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PCWSSWQEWWTTTH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.51
Topological Polar Surface Area	79.37
Polarizability	43.23
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00