N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

C63H60F2N8O8 — CID 123424078

IUPACN-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)cn3)CC2C2CC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CCC2Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C63H60F2N8O8/c64-45-9-5-41(6-10-45)59(74)42-25-29-72(30-26-42)62(77)43-7-21-55(68-37-43)60(75)70-47-13-23-57(80-50-15-1-39(35-66)2-16-50)53(33-47)54-34-48(14-24-58(54)81-51-17-3-40(36-67)4-18-51)71-61(76)56-22-8-44(38-69-56)63(78)73-31-27-52(28-32-73)79-49-19-11-46(65)12-20-49/h1-12,15-22,37-38,42,47-48,52-54,57-58H,13-14,23-34H2,(H,70,75)(H,71,76)
InChIKeyBFGTXCPDSLRZKF-UHFFFAOYSA-N
MW1095.22 g/mol
LogP9.31
Rot. Bonds15

About N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 123424078) has the molecular formula C63H60F2N8O8 and a molecular weight of 1095.22 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID123424078
Molecular FormulaC63H60F2N8O8
Molecular Weight1095.22 g/mol
Exact Mass1094.45
IUPAC NameN-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)cn3)CC2C2CC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CCC2Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C63H60F2N8O8/c64-45-9-5-41(6-10-45)59(74)42-25-29-72(30-26-42)62(77)43-7-21-55(68-37-43)60(75)70-47-13-23-57(80-50-15-1-39(35-66)2-16-50)53(33-47)54-34-48(14-24-58(54)81-51-17-3-40(36-67)4-18-51)71-61(76)56-22-8-44(38-69-56)63(78)73-31-27-52(28-32-73)79-49-19-11-46(65)12-20-49/h1-12,15-22,37-38,42,47-48,52-54,57-58H,13-14,23-34H2,(H,70,75)(H,71,76)
InChIKeyBFGTXCPDSLRZKF-UHFFFAOYSA-N
XLogP9.31
TPSA216.94 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.22
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-cyanophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710291
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710293
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenoxy) piperidine-1-carbonyl)picolinamide
CID 66710345
N-((cis)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710444
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710519
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710645

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 123424078) is N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)cn3)CC2C2CC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CCC2Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is BFGTXCPDSLRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60F2N8O8/c64-45-9-5-41(6-10-45)59(74)42-25-29-72(30-26-42)62(77)43-7-21-55(68-37-43)60(75)70-47-13-23-57(80-50-15-1-39(35-66)2-16-50)53(33-47)54-34-48(14-24-58(54)81-51-17-3-40(36-67)4-18-51)71-61(76)56-22-8-44(38-69-56)63(78)73-31-27-52(28-32-73)79-49-19-11-46(65)12-20-49/h1-12,15-22,37-38,42,47-48,52-54,57-58H,13-14,23-34H2,(H,70,75)(H,71,76).
What are the key properties of N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 1095.22 g/mol, XLogP of 9.31, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 123424078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).