3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

C62H72F3N9O4 — CID 143718299

IUPAC3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESCC.N#Cc1ccc(N2CCC(Oc3cccc(C(=O)NC4CCN(Cc5ccncc5)CC4)c3)CC2)cc1.O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C30H33F3N4O2.C30H33N5O2.C2H6/c31-30(32,33)24-4-6-26(7-5-24)37-18-12-27(13-19-37)39-28-3-1-2-23(20-28)29(38)35-25-10-16-36(17-11-25)21-22-8-14-34-15-9-22;31-21-23-4-6-27(7-5-23)35-18-12-28(13-19-35)37-29-3-1-2-25(20-29)30(36)33-26-10-16-34(17-11-26)22-24-8-14-32-15-9-24;1-2/h1-9,14-15,20,25,27H,10-13,16-19,21H2,(H,35,38);1-9,14-15,20,26,28H,10-13,16-19,22H2,(H,33,36);1-2H3
InChIKeyIZGPVERMDDXGRW-UHFFFAOYSA-N
MW1064.31 g/mol
LogP10.96
Rot. Bonds14

About 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (PubChem CID 143718299) has the molecular formula C62H72F3N9O4 and a molecular weight of 1064.31 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
PubChem CID143718299
Molecular FormulaC62H72F3N9O4
Molecular Weight1064.31 g/mol
Exact Mass1063.57
IUPAC Name3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESCC.N#Cc1ccc(N2CCC(Oc3cccc(C(=O)NC4CCN(Cc5ccncc5)CC4)c3)CC2)cc1.O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C30H33F3N4O2.C30H33N5O2.C2H6/c31-30(32,33)24-4-6-26(7-5-24)37-18-12-27(13-19-37)39-28-3-1-2-23(20-28)29(38)35-25-10-16-36(17-11-25)21-22-8-14-34-15-9-22;31-21-23-4-6-27(7-5-23)35-18-12-28(13-19-35)37-29-3-1-2-25(20-29)30(36)33-26-10-16-34(17-11-26)22-24-8-14-32-15-9-24;1-2/h1-9,14-15,20,25,27H,10-13,16-19,21H2,(H,35,38);1-9,14-15,20,26,28H,10-13,16-19,22H2,(H,33,36);1-2H3
InChIKeyIZGPVERMDDXGRW-UHFFFAOYSA-N
XLogP10.96
TPSA139.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001064.31
LogP ≤ 510.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
3-[2-(4-cyanophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396259
3-[2-(4-acetamidophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23646473
6-(4-(4-acetamidophenoxy) piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710593
5-(4-(4-(methylsulfonyl)phenoxy)piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy)benzyl)piperidin-4-yl)picolinamide
CID 146676202
3-[(4-acetamidophenyl)methoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396266
6-(4-(4-(methylsulfonyl)phenoxy)piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy)benzyl)piperidin-4-yl)nicotinamide
CID 146676200
N-(3-pyridinylmethyl)-4-(4-{[3-(trifluoromethoxy)benzyl]amino}-1-piperidinyl)benzamide
CID 42272636
3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24994102
3-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24994104
3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24995033
4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24995037

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (CID 143718299) is 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is CC.N#Cc1ccc(N2CCC(Oc3cccc(C(=O)NC4CCN(Cc5ccncc5)CC4)c3)CC2)cc1.O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The InChIKey is IZGPVERMDDXGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O2.C30H33N5O2.C2H6/c31-30(32,33)24-4-6-26(7-5-24)37-18-12-27(13-19-37)39-28-3-1-2-23(20-28)29(38)35-25-10-16-36(17-11-25)21-22-8-14-34-15-9-22;31-21-23-4-6-27(7-5-23)35-18-12-28(13-19-35)37-29-3-1-2-25(20-29)30(36)33-26-10-16-34(17-11-26)22-24-8-14-32-15-9-24;1-2/h1-9,14-15,20,25,27H,10-13,16-19,21H2,(H,35,38);1-9,14-15,20,26,28H,10-13,16-19,22H2,(H,33,36);1-2H3.
What are the key properties of 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide has a molecular weight of 1064.31 g/mol, XLogP of 10.96, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide;ethane;N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 143718299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).