N-(isoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide

N-(isoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide

CAS: 2133832-83-2

Formula: C24H27N3O2

SMILES: COC1=CC=C(CCC(=O)N([C@@H]2CCCNC2)C2=C3C=CC=CC3=CC=N2)C=C1

IUPAC: N-(isoquinolin-1-yl)-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide

InChI: InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1

Composition: C (74.01%), H (6.99%), N (10.79%), O (8.22%)

Molar Mass: 389.499

Atom Count: 56

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	389.210327121
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OKTGXQMSOIQCTJ-HXUWFJFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.37
Topological Polar Surface Area	54.46
Polarizability	45.82
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	2133832-83-2		$41.28-$424.24$41.28$64.97$114.66$238.49$424.24