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

C106H137Cl8N21O10S — CID 158205499

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

1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine (PubChem CID 158205499) has the molecular formula C106H137Cl8N21O10S and a molecular weight of 2181.09 g/mol. Its IUPAC name is 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine
• PubChem CID: 158205499
• Molecular Formula: C106H137Cl8N21O10S
• Molecular Weight: 2181.09 g/mol
• Exact Mass: 2175.81
• IUPAC Name: 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine
• SMILES: CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1C.CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1N.CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1Nc1ncnc2[nH]ccc12.CC1CCNCC1CC(=O)OC(C)(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CN(C(=O)CNc5cc(Cl)cc(Cl)c5)CCC4C)ncnc32)cc1.Cc1ccncc1CC(=O)OC(C)(C)C.Cc1ccncc1N
• InChI: InChI=1S/C27H28Cl2N6O3S.C20H22Cl2N6O.C15H20Cl2N2O.C14H19Cl2N3O.C12H23NO2.C12H17NO2.C6H8N2/c1-17-3-5-22(6-4-17)39(37,38)35-10-8-23-26(31-16-32-27(23)35)33-24-15-34(9-7-18(24)2)25(36)14-30-21-12-19(28)11-20(29)13-21;1-12-3-5-28(18(29)9-24-15-7-13(21)6-14(22)8-15)10-17(12)27-20-16-2-4-23-19(16)25-11-26-20;1-10-3-4-19(9-11(10)2)15(20)8-18-14-6-12(16)5-13(17)7-14;1-9-2-3-19(8-13(9)17)14(20)7-18-12-5-10(15)4-11(16)6-12;2*1-9-5-6-13-8-10(9)7-11(14)15-12(2,3)4;1-5-2-3-8-4-6(5)7/h3-6,8,10-13,16,18,24,30H,7,9,14-15H2,1-2H3,(H,31,32,33);2,4,6-8,11-12,17,24H,3,5,9-10H2,1H3,(H2,23,25,26,27);5-7,10-11,18H,3-4,8-9H2,1-2H3;4-6,9,13,18H,2-3,7-8,17H2,1H3;9-10,13H,5-8H2,1-4H3;5-6,8H,7H2,1-4H3;2-4H,7H2,1H3
• InChIKey: GBLIQWHXCICIEM-UHFFFAOYSA-N
• XLogP: 20.79
• 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	20.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine (CID 158205499) is 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine.

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

The canonical SMILES for 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine is CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1C.CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1N.CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1Nc1ncnc2[nH]ccc12.CC1CCNCC1CC(=O)OC(C)(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CN(C(=O)CNc5cc(Cl)cc(Cl)c5)CCC4C)ncnc32)cc1.Cc1ccncc1CC(=O)OC(C)(C)C.Cc1ccncc1N.

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

The InChIKey is GBLIQWHXCICIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O3S.C20H22Cl2N6O.C15H20Cl2N2O.C14H19Cl2N3O.C12H23NO2.C12H17NO2.C6H8N2/c1-17-3-5-22(6-4-17)39(37,38)35-10-8-23-26(31-16-32-27(23)35)33-24-15-34(9-7-18(24)2)25(36)14-30-21-12-19(28)11-20(29)13-21;1-12-3-5-28(18(29)9-24-15-7-13(21)6-14(22)8-15)10-17(12)27-20-16-2-4-23-19(16)25-11-26-20;1-10-3-4-19(9-11(10)2)15(20)8-18-14-6-12(16)5-13(17)7-14;1-9-2-3-19(8-13(9)17)14(20)7-18-12-5-10(15)4-11(16)6-12;2*1-9-5-6-13-8-10(9)7-11(14)15-12(2,3)4;1-5-2-3-8-4-6(5)7/h3-6,8,10-13,16,18,24,30H,7,9,14-15H2,1-2H3,(H,31,32,33);2,4,6-8,11-12,17,24H,3,5,9-10H2,1H3,(H2,23,25,26,27);5-7,10-11,18H,3-4,8-9H2,1-2H3;4-6,9,13,18H,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-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine?

1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine has a molecular weight of 2181.09 g/mol, XLogP of 20.79, 22 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-amino-4-methylpiperidin-1-yl)-2-(3,5-dichloroanilino)ethanone;tert-butyl 2-(4-methylpiperidin-3-yl)acetate;tert-butyl 2-(4-methyl-3-pyridinyl)acetate;2-(3,5-dichloroanilino)-1-(3,4-dimethylpiperidin-1-yl)ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;2-(3,5-dichloroanilino)-1-[4-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]ethanone;4-methylpyridin-3-amine is sourced from PubChem (CID 158205499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).