4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile

C32H24F2N4O4 — CID 58073265

IUPAC4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)nc2)cc1
InChIInChI=1S/C32H24F2N4O4/c33-23-4-9-27(28(34)15-23)31(40)21-11-13-38(14-12-21)32(41)29-10-3-22(18-37-29)30(39)16-24-5-8-26(19-36-24)42-25-6-1-20(17-35)2-7-25/h1-10,15,18-19,21H,11-14,16H2
InChIKeyCEPLTJDZJWFZLI-UHFFFAOYSA-N
MW566.56 g/mol
LogP5.58
Rot. Bonds8

About 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile

4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile (PubChem CID 58073265) has the molecular formula C32H24F2N4O4 and a molecular weight of 566.56 g/mol. Its IUPAC name is 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
PubChem CID58073265
Molecular FormulaC32H24F2N4O4
Molecular Weight566.56 g/mol
Exact Mass566.18
IUPAC Name4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)nc2)cc1
InChIInChI=1S/C32H24F2N4O4/c33-23-4-9-27(28(34)15-23)31(40)21-11-13-38(14-12-21)32(41)29-10-3-22(18-37-29)30(39)16-24-5-8-26(19-36-24)42-25-6-1-20(17-35)2-7-25/h1-10,15,18-19,21H,11-14,16H2
InChIKeyCEPLTJDZJWFZLI-UHFFFAOYSA-N
XLogP5.58
TPSA113.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.56
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile 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)-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-((cis)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710444
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide
CID 66710664
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710857
[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]-3-pyridinyl]methanone
CID 168280146
5-(4-(4-Fluorobenzyl)piperazine-1-carbonyl)-(6-(4-cyanophenoxy)pyridin-3-yl)picolinamide
CID 56650000

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile (CID 58073265) is 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile is N#Cc1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)nc2)cc1.
What is the InChIKey of 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is CEPLTJDZJWFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2N4O4/c33-23-4-9-27(28(34)15-23)31(40)21-11-13-38(14-12-21)32(41)29-10-3-22(18-37-29)30(39)16-24-5-8-26(19-36-24)42-25-6-1-20(17-35)2-7-25/h1-10,15,18-19,21H,11-14,16H2.
What are the key properties of 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile?
4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 566.56 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 58073265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).