1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine

C106H137Cl8N21O10S — CID 159766874

About 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine

1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine (PubChem CID 159766874) has the molecular formula C106H137Cl8N21O10S and a molecular weight of 2181.09 g/mol. Its IUPAC name is 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine
• PubChem CID: 159766874
• Molecular Formula: C106H137Cl8N21O10S
• Molecular Weight: 2181.09 g/mol
• Exact Mass: 2175.81
• IUPAC Name: 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine
• SMILES: CC1CCC(C)N(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CC1CCC(CC(=O)OC(C)(C)C)CN1.CC1CCC(N)CN1C(=O)CNc1cc(Cl)cc(Cl)c1.CC1CCC(Nc2ncnc3[nH]ccc23)CN1C(=O)CNc1cc(Cl)cc(Cl)c1.Cc1ccc(CC(=O)OC(C)(C)C)cn1.Cc1ccc(N)cn1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCC(C)N(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1
• InChI: InChI=1S/C27H28Cl2N6O3S.C20H22Cl2N6O.C15H20Cl2N2O.C14H19Cl2N3O.C12H23NO2.C12H17NO2.C6H8N2/c1-17-3-7-23(8-4-17)39(37,38)35-10-9-24-26(31-16-32-27(24)35)33-21-6-5-18(2)34(15-21)25(36)14-30-22-12-19(28)11-20(29)13-22;1-12-2-3-15(27-20-17-4-5-23-19(17)25-11-26-20)10-28(12)18(29)9-24-16-7-13(21)6-14(22)8-16;1-10-3-4-11(2)19(9-10)15(20)8-18-14-6-12(16)5-13(17)7-14;1-9-2-3-12(17)8-19(9)14(20)7-18-13-5-10(15)4-11(16)6-13;2*1-9-5-6-10(8-13-9)7-11(14)15-12(2,3)4;1-5-2-3-6(7)4-8-5/h3-4,7-13,16,18,21,30H,5-6,14-15H2,1-2H3,(H,31,32,33);4-8,11-12,15,24H,2-3,9-10H2,1H3,(H2,23,25,26,27);5-7,10-11,18H,3-4,8-9H2,1-2H3;4-6,9,12,18H,2-3,7-8,17H2,1H3;9-10,13H,5-8H2,1-4H3;5-6,8H,7H2,1-4H3;2-4H,7H2,1H3
• InChIKey: NFPQGTQINITFMZ-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 402.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.09
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine?

The IUPAC name of 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine (CID 159766874) is 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine.

What is the SMILES notation for 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine?

The canonical SMILES for 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine is CC1CCC(C)N(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.CC1CCC(CC(=O)OC(C)(C)C)CN1.CC1CCC(N)CN1C(=O)CNc1cc(Cl)cc(Cl)c1.CC1CCC(Nc2ncnc3[nH]ccc23)CN1C(=O)CNc1cc(Cl)cc(Cl)c1.Cc1ccc(CC(=O)OC(C)(C)C)cn1.Cc1ccc(N)cn1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCC(C)N(C(=O)CNc5cc(Cl)cc(Cl)c5)C4)ncnc32)cc1.

What is the InChIKey of 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine?

The InChIKey is NFPQGTQINITFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O3S.C20H22Cl2N6O.C15H20Cl2N2O.C14H19Cl2N3O.C12H23NO2.C12H17NO2.C6H8N2/c1-17-3-7-23(8-4-17)39(37,38)35-10-9-24-26(31-16-32-27(24)35)33-21-6-5-18(2)34(15-21)25(36)14-30-22-12-19(28)11-20(29)13-22;1-12-2-3-15(27-20-17-4-5-23-19(17)25-11-26-20)10-28(12)18(29)9-24-16-7-13(21)6-14(22)8-16;1-10-3-4-11(2)19(9-10)15(20)8-18-14-6-12(16)5-13(17)7-14;1-9-2-3-12(17)8-19(9)14(20)7-18-13-5-10(15)4-11(16)6-13;2*1-9-5-6-10(8-13-9)7-11(14)15-12(2,3)4;1-5-2-3-6(7)4-8-5/h3-4,7-13,16,18,21,30H,5-6,14-15H2,1-2H3,(H,31,32,33);4-8,11-12,15,24H,2-3,9-10H2,1H3,(H2,23,25,26,27);5-7,10-11,18H,3-4,8-9H2,1-2H3;4-6,9,12,18H,2-3,7-8,17H2,1H3;9-10,13H,5-8H2,1-4H3;5-6,8H,7H2,1-4H3;2-4H,7H2,1H3.

What are the key properties of 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine?

1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine has a molecular weight of 2181.09 g/mol, XLogP of 21.50, 22 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-2-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(6-methylpiperidin-3-yl)acetate;tert-butyl 2-(6-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(2,5-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;6-methylpyridin-3-amine is sourced from PubChem (CID 159766874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).