N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C70H68F8N8O8 — CID 167671162

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/2C35H34F4N4O4/c1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)29-13-10-25(36)21-30(29)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39/h2*3-14,21-22,27H,15-20H2,1-2H3,(H,40,44)
InChIKeyUDBMZUBJQOVQOV-UHFFFAOYSA-N
MW1301.35 g/mol
LogP13.02
Rot. Bonds20

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167671162) has the molecular formula C70H68F8N8O8 and a molecular weight of 1301.35 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167671162
Molecular FormulaC70H68F8N8O8
Molecular Weight1301.35 g/mol
Exact Mass1300.50
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/2C35H34F4N4O4/c1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)29-13-10-25(36)21-30(29)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39/h2*3-14,21-22,27H,15-20H2,1-2H3,(H,40,44)
InChIKeyUDBMZUBJQOVQOV-UHFFFAOYSA-N
XLogP13.02
TPSA168.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.35
LogP ≤ 513.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-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-(Pyridin-3-Ylcarbonyl)piperidin-4-Yl]oxy}phenyl)-3-(Trifluoromethyl)benzamide
CID 121232411
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134136205
4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044255
N-[3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]oxy-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 134133028
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134148414
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134152617
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-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11192838
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-[(2-methylphenoxy)-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11239049
2,6-dimethyl-N-[(3S)-3-[4-[(R)-phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11273542
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167671162) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is UDBMZUBJQOVQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H34F4N4O4/c1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)29-13-10-25(36)21-30(29)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39/h2*3-14,21-22,27H,15-20H2,1-2H3,(H,40,44).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 1301.35 g/mol, XLogP of 13.02, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167671162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).