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

C143H154F4N16O11 — CID 167551745

IUPAC[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;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)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41)
InChIKeyCMNFJKYDSWEBST-UHFFFAOYSA-N
MW2348.90 g/mol
LogP25.56
Rot. Bonds41

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

[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167551745) has the molecular formula C143H154F4N16O11 and a molecular weight of 2348.90 g/mol. Its IUPAC name is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167551745
Molecular FormulaC143H154F4N16O11
Molecular Weight2348.90 g/mol
Exact Mass2347.19
IUPAC Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;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)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41)
InChIKeyCMNFJKYDSWEBST-UHFFFAOYSA-N
XLogP25.56
TPSA266.33 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds41
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.90
LogP ≤ 525.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134148414
2,6-dimethyl-N-[(3S)-3-[4-[(R)-(6-methylpyridin-2-yl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11181187
2,6-Dimethyl-N-(3-{4-[(6-methyl-pyridin-2-yloxy)-(4-trifluoromethyl-phenyl)-methyl]-piperidin-1-yl}-butyl)-4-pyridin-4-yl-benzamide
CID 11215803
2,6-dimethyl-N-[3-[4-[(R)-(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11331101
2,6-Dimethyl-4-pyridin-4-yl-N-(3-{4-[(pyridin-2-yloxy)-(4-trifluoromethyl-phenyl)-methyl]-piperidin-1-yl}-butyl)-benzamide
CID 11399357
3-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24994104
2,6-dimethyl-N-[(3R)-3-[4-[(R)-(6-methylpyridin-2-yl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 57563142
2,6-dimethyl-N-[(3S)-3-[4-[(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 68970938
2,6-dimethyl-N-[(3R)-3-[4-[(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 68972788
N-[(3R)-3-[4-[(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 69111324
3-[[4-[(4-Tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoic acid;methyl 3-[[4-[(4-tert-butylphenyl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]benzoyl]amino]propanoate
CID 87417609
Methyl 3-[[4-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentoxy]benzoyl]amino]propanoate;3-[[4-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]pentoxy]benzoyl]amino]propanoic acid
CID 87417655

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167551745) is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.
What is the InChIKey of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is CMNFJKYDSWEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;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)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41).
What are the key properties of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 2348.90 g/mol, XLogP of 25.56, 41 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167551745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).