[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C136H148F10N18O14 — CID 167614039

IUPAC[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C36H36F4N4O3.C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39)
InChIKeyLMADMCUFGBILEN-UHFFFAOYSA-N
MW2448.77 g/mol
LogP22.24
Rot. Bonds40

About [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167614039) has the molecular formula C136H148F10N18O14 and a molecular weight of 2448.77 g/mol. Its IUPAC name is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167614039
Molecular FormulaC136H148F10N18O14
Molecular Weight2448.77 g/mol
Exact Mass2447.13
IUPAC Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C36H36F4N4O3.C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39)
InChIKeyLMADMCUFGBILEN-UHFFFAOYSA-N
XLogP22.24
TPSA308.34 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002448.77
LogP ≤ 522.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167614039) is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is LMADMCUFGBILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F4N4O3.C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39).
What are the key properties of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 2448.77 g/mol, XLogP of 22.24, 40 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167614039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).