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

C143H161F3N14O14 — CID 158453835

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

tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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 (PubChem CID 158453835) has the molecular formula C143H161F3N14O14 and a molecular weight of 2356.94 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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.

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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
• PubChem CID: 158453835
• Molecular Formula: C143H161F3N14O14
• Molecular Weight: 2356.94 g/mol
• Exact Mass: 2355.23
• IUPAC Name: tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(=O)[nH]cnc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2O)cc1.COc1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.Cc1cc(=O)[nH]c2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc12
• InChI: InChI=1S/C28H32F3N3O3.C27H29N3O2.C25H28N2O3.C23H26N2O2.C21H23N3O2.C19H23NO2/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;1-27(2,3)21-8-5-18(6-9-21)23(20-7-12-26(32-4)29-17-20)16-25(31)30-22-10-11-24-19(15-22)13-14-28-24;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;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/h4,6-8,10,13,16-17,19,32H,5,9,11-12,14-15H2,1-3H3,(H,33,35);5-15,17,23,28H,16H2,1-4H3,(H,30,31);4-12,15,20,26H,13-14,16H2,1-3H3,(H,27,28);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)
• InChIKey: HEIDCXKCYWYASH-UHFFFAOYSA-N
• XLogP: 30.90
• TPSA: 390.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2356.94
LogP ≤ 5	30.90
H-Bond Donors ≤ 5	12
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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?

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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 (CID 158453835) is tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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.

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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?

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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 is CC(C)(C)OC(=O)N1CCC(c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(=O)[nH]cnc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2O)cc1.COc1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.Cc1cc(=O)[nH]c2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc12.

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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?

The InChIKey is HEIDCXKCYWYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O3.C27H29N3O2.C25H28N2O3.C23H26N2O2.C21H23N3O2.C19H23NO2/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;1-27(2,3)21-8-5-18(6-9-21)23(20-7-12-26(32-4)29-17-20)16-25(31)30-22-10-11-24-19(15-22)13-14-28-24;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;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/h4,6-8,10,13,16-17,19,32H,5,9,11-12,14-15H2,1-3H3,(H,33,35);5-15,17,23,28H,16H2,1-4H3,(H,30,31);4-12,15,20,26H,13-14,16H2,1-3H3,(H,27,28);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).

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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?

tert-butyl 4-[2-[3-(1H-indol-5-ylamino)-3-oxopropyl]-5-(trifluoromethyl)phenyl]piperidine-1-carboxylate;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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 has a molecular weight of 2356.94 g/mol, XLogP of 30.90, 28 rotatable bonds, 12 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(2-hydroxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methoxy-3-pyridinyl)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 is sourced from PubChem (CID 158453835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).