(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate

C129H173Br3N22O21 — CID 158977936

IUPAC(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate
SMILESCNC(=O)COC(=O)CCCC1CCN(c2cccc(C3CCCC3)n2)CC1.CNC(=O)COC(=O)CCCC1CCN(c2cccc(N3CCCC3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C22H33N3O3.C21H32N4O3.C21H25N3O3.C20H23N3O3.C16H22BrN3O3.C15H20BrN3O3.C14H18BrN3O3/c1-23-21(26)16-28-22(27)11-4-6-17-12-14-25(15-13-17)20-10-5-9-19(24-20)18-7-2-3-8-18;1-22-20(26)16-28-21(27)9-4-6-17-10-14-25(15-11-17)19-8-5-7-18(23-19)24-12-2-3-13-24;22-19(25)15-27-21(26)10-9-16-11-13-24(14-12-16)20-8-4-7-18(23-20)17-5-2-1-3-6-17;21-18(24)14-26-20(25)13-15-9-11-23(12-10-15)19-8-4-7-17(22-19)16-5-2-1-3-6-16;17-13-4-2-5-15(19-13)20-9-7-12(8-10-20)3-1-6-16(22)23-11-14(18)21;16-12-2-1-3-14(18-12)19-8-6-11(7-9-19)4-5-15(21)22-10-13(17)20;15-11-2-1-3-13(17-11)18-6-4-10(5-7-18)8-14(20)21-9-12(16)19/h5,9-10,17-18H,2-4,6-8,11-16H2,1H3,(H,23,26);5,7-8,17H,2-4,6,9-16H2,1H3,(H,22,26);1-8,16H,9-15H2,(H2,22,25);1-8,15H,9-14H2,(H2,21,24);2,4-5,12H,1,3,6-11H2,(H2,18,21);1-3,11H,4-10H2,(H2,17,20);1-3,10H,4-9H2,(H2,16,19)
InChIKeyJOPXUVSWHRYDOT-UHFFFAOYSA-N
MW2607.65 g/mol
LogP16.54
Rot. Bonds47

About (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate

(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate (PubChem CID 158977936) has the molecular formula C129H173Br3N22O21 and a molecular weight of 2607.65 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate
PubChem CID158977936
Molecular FormulaC129H173Br3N22O21
Molecular Weight2607.65 g/mol
Exact Mass2603.07
IUPAC Name(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate
SMILESCNC(=O)COC(=O)CCCC1CCN(c2cccc(C3CCCC3)n2)CC1.CNC(=O)COC(=O)CCCC1CCN(c2cccc(N3CCCC3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C22H33N3O3.C21H32N4O3.C21H25N3O3.C20H23N3O3.C16H22BrN3O3.C15H20BrN3O3.C14H18BrN3O3/c1-23-21(26)16-28-22(27)11-4-6-17-12-14-25(15-13-17)20-10-5-9-19(24-20)18-7-2-3-8-18;1-22-20(26)16-28-21(27)9-4-6-17-10-14-25(15-11-17)19-8-5-7-18(23-19)24-12-2-3-13-24;22-19(25)15-27-21(26)10-9-16-11-13-24(14-12-16)20-8-4-7-18(23-20)17-5-2-1-3-6-17;21-18(24)14-26-20(25)13-15-9-11-23(12-10-15)19-8-4-7-17(22-19)16-5-2-1-3-6-16;17-13-4-2-5-15(19-13)20-9-7-12(8-10-20)3-1-6-16(22)23-11-14(18)21;16-12-2-1-3-14(18-12)19-8-6-11(7-9-19)4-5-15(21)22-10-13(17)20;15-11-2-1-3-13(17-11)18-6-4-10(5-7-18)8-14(20)21-9-12(16)19/h5,9-10,17-18H,2-4,6-8,11-16H2,1H3,(H,23,26);5,7-8,17H,2-4,6,9-16H2,1H3,(H,22,26);1-8,16H,9-15H2,(H2,22,25);1-8,15H,9-14H2,(H2,21,24);2,4-5,12H,1,3,6-11H2,(H2,18,21);1-3,11H,4-10H2,(H2,17,20);1-3,10H,4-9H2,(H2,16,19)
InChIKeyJOPXUVSWHRYDOT-UHFFFAOYSA-N
XLogP16.54
TPSA573.90 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds47
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.65
LogP ≤ 516.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate (CID 158977936) is (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate is CNC(=O)COC(=O)CCCC1CCN(c2cccc(C3CCCC3)n2)CC1.CNC(=O)COC(=O)CCCC1CCN(c2cccc(N3CCCC3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(-c3ccccc3)n2)CC1.NC(=O)COC(=O)CCC1CCN(c2cccc(Br)n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2cccc(Br)n2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate?
The InChIKey is JOPXUVSWHRYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.C21H32N4O3.C21H25N3O3.C20H23N3O3.C16H22BrN3O3.C15H20BrN3O3.C14H18BrN3O3/c1-23-21(26)16-28-22(27)11-4-6-17-12-14-25(15-13-17)20-10-5-9-19(24-20)18-7-2-3-8-18;1-22-20(26)16-28-21(27)9-4-6-17-10-14-25(15-11-17)19-8-5-7-18(23-19)24-12-2-3-13-24;22-19(25)15-27-21(26)10-9-16-11-13-24(14-12-16)20-8-4-7-18(23-20)17-5-2-1-3-6-17;21-18(24)14-26-20(25)13-15-9-11-23(12-10-15)19-8-4-7-17(22-19)16-5-2-1-3-6-16;17-13-4-2-5-15(19-13)20-9-7-12(8-10-20)3-1-6-16(22)23-11-14(18)21;16-12-2-1-3-14(18-12)19-8-6-11(7-9-19)4-5-15(21)22-10-13(17)20;15-11-2-1-3-13(17-11)18-6-4-10(5-7-18)8-14(20)21-9-12(16)19/h5,9-10,17-18H,2-4,6-8,11-16H2,1H3,(H,23,26);5,7-8,17H,2-4,6,9-16H2,1H3,(H,22,26);1-8,16H,9-15H2,(H2,22,25);1-8,15H,9-14H2,(H2,21,24);2,4-5,12H,1,3,6-11H2,(H2,18,21);1-3,11H,4-10H2,(H2,17,20);1-3,10H,4-9H2,(H2,16,19).
What are the key properties of (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate?
(2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate has a molecular weight of 2607.65 g/mol, XLogP of 16.54, 47 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-cyclopentyl-2-pyridinyl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(6-pyrrolidin-1-yl-2-pyridinyl)piperidin-4-yl]butanoate is sourced from PubChem (CID 158977936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).