4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide

C126H151F5N12O9 — CID 159271958

About 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide

4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide (PubChem CID 159271958) has the molecular formula C126H151F5N12O9 and a molecular weight of 2072.66 g/mol. Its IUPAC name is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide
• PubChem CID: 159271958
• Molecular Formula: C126H151F5N12O9
• Molecular Weight: 2072.66 g/mol
• Exact Mass: 2071.16
• IUPAC Name: 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide
• SMILES: CCCCNC(=O)N1CCC(c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCCNC(=O)N1CCC(c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)CC1.CCCCNC(=O)N1CCC(c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)CC1.CCCCNC(=O)N1CCC(c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)CC1
• InChI: InChI=1S/C33H41N3O3.C32H36F3N3O2.C31H36FN3O2.C30H38FN3O2/c1-3-4-16-34-33(38)36-17-14-25(15-18-36)27-20-28-26(13-12-23-8-6-5-7-9-23)29(31(37)19-24-10-11-24)22-35-30(28)21-32(27)39-2;1-2-3-13-36-31(40)38-14-11-23(12-15-38)24-18-26-25(16-21-7-5-4-6-8-21)27(30(39)17-22-9-10-22)20-37-29(26)19-28(24)32(33,34)35;1-2-3-13-33-31(37)35-14-11-23(12-15-35)24-18-26-25(16-21-7-5-4-6-8-21)27(30(36)17-22-9-10-22)20-34-29(26)19-28(24)32;1-2-3-8-32-30(36)34-9-6-19(7-10-34)23-15-25-24(14-22-20-12-21(22)13-20)26(29(35)11-18-4-5-18)17-33-28(25)16-27(23)31/h5-9,20-22,24-25H,3-4,10-19H2,1-2H3,(H,34,38);4-8,18-20,22-23H,2-3,9-17H2,1H3,(H,36,40);4-8,18-20,22-23H,2-3,9-17H2,1H3,(H,33,37);15-22H,2-14H2,1H3,(H,32,36)
• InChIKey: KXVCEBVNIRVUCM-UHFFFAOYSA-N
• XLogP: 27.10
• TPSA: 258.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 38
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.66
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide?

The IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide (CID 159271958) is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide is CCCCNC(=O)N1CCC(c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCCNC(=O)N1CCC(c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)CC1.CCCCNC(=O)N1CCC(c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)CC1.CCCCNC(=O)N1CCC(c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)CC1.

What is the InChIKey of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide?

The InChIKey is KXVCEBVNIRVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3.C32H36F3N3O2.C31H36FN3O2.C30H38FN3O2/c1-3-4-16-34-33(38)36-17-14-25(15-18-36)27-20-28-26(13-12-23-8-6-5-7-9-23)29(31(37)19-24-10-11-24)22-35-30(28)21-32(27)39-2;1-2-3-13-36-31(40)38-14-11-23(12-15-38)24-18-26-25(16-21-7-5-4-6-8-21)27(30(39)17-22-9-10-22)20-37-29(26)19-28(24)32(33,34)35;1-2-3-13-33-31(37)35-14-11-23(12-15-35)24-18-26-25(16-21-7-5-4-6-8-21)27(30(36)17-22-9-10-22)20-34-29(26)19-28(24)32;1-2-3-8-32-30(36)34-9-6-19(7-10-34)23-15-25-24(14-22-20-12-21(22)13-20)26(29(35)11-18-4-5-18)17-33-28(25)16-27(23)31/h5-9,20-22,24-25H,3-4,10-19H2,1-2H3,(H,34,38);4-8,18-20,22-23H,2-3,9-17H2,1H3,(H,36,40);4-8,18-20,22-23H,2-3,9-17H2,1H3,(H,33,37);15-22H,2-14H2,1H3,(H,32,36).

What are the key properties of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide?

4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide has a molecular weight of 2072.66 g/mol, XLogP of 27.10, 38 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]piperidine-1-carboxamide is sourced from PubChem (CID 159271958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).