tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

C127H137F9N14O13 — CID 159925062

About tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide

tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 159925062) has the molecular formula C127H137F9N14O13 and a molecular weight of 2238.56 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 159925062
• Molecular Formula: C127H137F9N14O13
• Molecular Weight: 2238.56 g/mol
• Exact Mass: 2237.03
• IUPAC Name: tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(=O)[nH]cnc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2O)cc1.Cc1cc(=O)[nH]c2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc12.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C28H32F3N3O3.C23H26N2O2.C21H23N3O2.C19H23NO2.C18H16F3N3O.C18H17F3N2O3/c1-27(2,3)37-26(36)34-14-11-19(12-15-34)23-17-21(28(29,30)31)6-4-18(23)5-9-25(35)33-22-7-8-24-20(16-22)10-13-32-24;1-15-13-22(27)25-20-14-18(10-11-19(15)20)24-21(26)12-7-16-5-8-17(9-6-16)23(2,3)4;1-21(2,3)15-7-4-14(5-8-15)6-11-19(25)24-16-9-10-17-18(12-16)22-13-23-20(17)26;1-19(2,3)15-11-8-14(9-12-15)10-13-18(22)20-16-6-4-5-7-17(16)21;1-11-12(2-6-16(23-11)18(19,20)21)3-7-17(25)24-14-4-5-15-13(10-14)8-9-22-15;1-11-12(2-6-16(22-11)18(19,20)21)3-7-17(24)23-13-4-5-14-15(10-13)26-9-8-25-14/h4,6-8,10,13,16-17,19,32H,5,9,11-12,14-15H2,1-3H3,(H,33,35);5-6,8-11,13-14H,7,12H2,1-4H3,(H,24,26)(H,25,27);4-5,7-10,12-13H,6,11H2,1-3H3,(H,24,25)(H,22,23,26);4-9,11-12,21H,10,13H2,1-3H3,(H,20,22);2,4-6,8-10,22H,3,7H2,1H3,(H,24,25);2,4-6,10H,3,7-9H2,1H3,(H,23,24)
• InChIKey: NYXFXQVVKXJUTG-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 378.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.56
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 159925062) is tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(=O)[nH]cnc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2O)cc1.Cc1cc(=O)[nH]c2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc12.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2[nH]ccc2c1.Cc1nc(C(F)(F)F)ccc1CCC(=O)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is NYXFXQVVKXJUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O3.C23H26N2O2.C21H23N3O2.C19H23NO2.C18H16F3N3O.C18H17F3N2O3/c1-27(2,3)37-26(36)34-14-11-19(12-15-34)23-17-21(28(29,30)31)6-4-18(23)5-9-25(35)33-22-7-8-24-20(16-22)10-13-32-24;1-15-13-22(27)25-20-14-18(10-11-19(15)20)24-21(26)12-7-16-5-8-17(9-6-16)23(2,3)4;1-21(2,3)15-7-4-14(5-8-15)6-11-19(25)24-16-9-10-17-18(12-16)22-13-23-20(17)26;1-19(2,3)15-11-8-14(9-12-15)10-13-18(22)20-16-6-4-5-7-17(16)21;1-11-12(2-6-16(23-11)18(19,20)21)3-7-17(25)24-14-4-5-15-13(10-14)8-9-22-15;1-11-12(2-6-16(22-11)18(19,20)21)3-7-17(24)23-13-4-5-14-15(10-13)26-9-8-25-14/h4,6-8,10,13,16-17,19,32H,5,9,11-12,14-15H2,1-3H3,(H,33,35);5-6,8-11,13-14H,7,12H2,1-4H3,(H,24,26)(H,25,27);4-5,7-10,12-13H,6,11H2,1-3H3,(H,24,25)(H,22,23,26);4-9,11-12,21H,10,13H2,1-3H3,(H,20,22);2,4-6,8-10,22H,3,7H2,1H3,(H,24,25);2,4-6,10H,3,7-9H2,1H3,(H,23,24).

What are the key properties of tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2238.56 g/mol, XLogP of 27.84, 25 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide;3-(4-tert-butylphenyl)-N-(4-oxo-3H-quinazolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 159925062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).