4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C146H158F4N18O16S2 — CID 167588462

About 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167588462) has the molecular formula C146H158F4N18O16S2 and a molecular weight of 2561.11 g/mol. Its IUPAC name is 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

• Compound Name: 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• PubChem CID: 167588462
• Molecular Formula: C146H158F4N18O16S2
• Molecular Weight: 2561.11 g/mol
• Exact Mass: 2559.15
• IUPAC Name: 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
• SMILES: C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1.CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1
• InChI: InChI=1S/C38H42FN5O3.C37H40FN5O4.C36H39FN4O4S.C35H37FN4O5S/c1-26(40-21-18-27-6-14-32(15-7-27)42(2)3)34-16-13-31(39)24-35(34)38(46)44-22-19-33(20-23-44)47-36-17-12-30(25-41-36)28-8-10-29(11-9-28)37(45)43(4)5;1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)33-23-29(38)12-15-32(33)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4;1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-31(19-22-41)45-35-16-9-28(24-39-35)27-7-13-32(14-8-27)46(4,43)44;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44/h6-17,24-25,33,40H,1,18-23H2,2-5H3;5-16,23-24,31H,17-22H2,1-4H3,(H,39,44);5-16,23-24,31,38H,1,17-22H2,2-4H3;4-15,22-23,29H,16-21H2,1-3H3,(H,37,41)
• InChIKey: ICNNNYDIRRHSOB-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 373.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2561.11
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The IUPAC name of 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167588462) is 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

What is the SMILES notation for 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The canonical SMILES for 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2)CC1.CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1.

What is the InChIKey of 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

The InChIKey is ICNNNYDIRRHSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42FN5O3.C37H40FN5O4.C36H39FN4O4S.C35H37FN4O5S/c1-26(40-21-18-27-6-14-32(15-7-27)42(2)3)34-16-13-31(39)24-35(34)38(46)44-22-19-33(20-23-44)47-36-17-12-30(25-41-36)28-8-10-29(11-9-28)37(45)43(4)5;1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)33-23-29(38)12-15-32(33)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4;1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-31(19-22-41)45-35-16-9-28(24-39-35)27-7-13-32(14-8-27)46(4,43)44;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44/h6-17,24-25,33,40H,1,18-23H2,2-5H3;5-16,23-24,31H,17-22H2,1-4H3,(H,39,44);5-16,23-24,31,38H,1,17-22H2,2-4H3;4-15,22-23,29H,16-21H2,1-3H3,(H,37,41).

What are the key properties of 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?

4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 2561.11 g/mol, XLogP of 22.31, 42 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167588462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).