3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide

C124H148F9N19O10 — CID 159182209

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide (PubChem CID 159182209) has the molecular formula C124H148F9N19O10 and a molecular weight of 2235.65 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
• PubChem CID: 159182209
• Molecular Formula: C124H148F9N19O10
• Molecular Weight: 2235.65 g/mol
• Exact Mass: 2234.15
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
• SMILES: CC(C)(C)c1ccc(C(CCCN2CCCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(C(CCCn2ccnc2)CC(=O)Nc2ccc3[nH]ccc3c2)cc1.CC1CN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC(C)N1.CC1CN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3c(c2)OCCO3)CC(C)N1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C29H40N2O3.C27H32N4O.C23H26F3N5O.C23H27F3N4O3.C22H23F3N4O2/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-14-12-31(13-15(2)28-14)22-16(3-7-20(30-22)23(24,25)26)4-8-21(32)29-18-5-6-19-17(11-18)9-10-27-19;1-14-12-30(13-15(2)27-14)22-16(3-7-20(29-22)23(24,25)26)4-8-21(31)28-17-5-6-18-19(11-17)33-10-9-32-18;23-22(24,25)19-5-1-14(21(28-19)29-11-8-17(30)9-12-29)2-6-20(31)27-16-3-4-18-15(13-16)7-10-26-18/h9-14,21,23H,4-8,15-20H2,1-3H3,(H,30,32);6-14,16-17,19,21,29H,4-5,15,18H2,1-3H3,(H,30,32);3,5-7,9-11,14-15,27-28H,4,8,12-13H2,1-2H3,(H,29,32);3,5-7,11,14-15,27H,4,8-10,12-13H2,1-2H3,(H,28,31);1,3-5,7,10,13,17,26,30H,2,6,8-9,11-12H2,(H,27,31)
• InChIKey: KNASZFZZACQKKJ-UHFFFAOYSA-N
• XLogP: 24.47
• TPSA: 343.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.65
LogP ≤ 5	24.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide (CID 159182209) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide is CC(C)(C)c1ccc(C(CCCN2CCCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(C(CCCn2ccnc2)CC(=O)Nc2ccc3[nH]ccc3c2)cc1.CC1CN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC(C)N1.CC1CN(c2nc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3c(c2)OCCO3)CC(C)N1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1ccc2[nH]ccc2c1.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide?

The InChIKey is KNASZFZZACQKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3.C27H32N4O.C23H26F3N5O.C23H27F3N4O3.C22H23F3N4O2/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-14-12-31(13-15(2)28-14)22-16(3-7-20(30-22)23(24,25)26)4-8-21(32)29-18-5-6-19-17(11-18)9-10-27-19;1-14-12-30(13-15(2)27-14)22-16(3-7-20(29-22)23(24,25)26)4-8-21(31)28-17-5-6-18-19(11-17)33-10-9-32-18;23-22(24,25)19-5-1-14(21(28-19)29-11-8-17(30)9-12-29)2-6-20(31)27-16-3-4-18-15(13-16)7-10-26-18/h9-14,21,23H,4-8,15-20H2,1-3H3,(H,30,32);6-14,16-17,19,21,29H,4-5,15,18H2,1-3H3,(H,30,32);3,5-7,9-11,14-15,27-28H,4,8,12-13H2,1-2H3,(H,29,32);3,5-7,11,14-15,27H,4,8-10,12-13H2,1-2H3,(H,28,31);1,3-5,7,10,13,17,26,30H,2,6,8-9,11-12H2,(H,27,31).

What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide?

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide has a molecular weight of 2235.65 g/mol, XLogP of 24.47, 31 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 159182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).