1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone

C31H24F3N3O4 — CID 58073508

IUPAC1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C31H24F3N3O4/c32-22-3-6-24(7-4-22)41-29-10-1-19(17-36-29)15-28(38)21-2-9-27(35-18-21)31(40)37-13-11-20(12-14-37)30(39)25-8-5-23(33)16-26(25)34/h1-10,16-18,20H,11-15H2
InChIKeyMYNSQJOUZGZXTN-UHFFFAOYSA-N
MW559.54 g/mol
LogP5.85
Rot. Bonds8

About 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone

1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone (PubChem CID 58073508) has the molecular formula C31H24F3N3O4 and a molecular weight of 559.54 g/mol. Its IUPAC name is 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
PubChem CID58073508
Molecular FormulaC31H24F3N3O4
Molecular Weight559.54 g/mol
Exact Mass559.17
IUPAC Name1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C31H24F3N3O4/c32-22-3-6-24(7-4-22)41-29-10-1-19(17-36-29)15-28(38)21-2-9-27(35-18-21)31(40)37-13-11-20(12-14-37)30(39)25-8-5-23(33)16-26(25)34/h1-10,16-18,20H,11-15H2
InChIKeyMYNSQJOUZGZXTN-UHFFFAOYSA-N
XLogP5.85
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone with MolForge

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Related Compounds

7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
example 31 [WO2018183145]
CID 135349311
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
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
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
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-((cis)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710444

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone (CID 58073508) is 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone is O=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1.
What is the InChIKey of 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The InChIKey is MYNSQJOUZGZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N3O4/c32-22-3-6-24(7-4-22)41-29-10-1-19(17-36-29)15-28(38)21-2-9-27(35-18-21)31(40)37-13-11-20(12-14-37)30(39)25-8-5-23(33)16-26(25)34/h1-10,16-18,20H,11-15H2.
What are the key properties of 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone has a molecular weight of 559.54 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 58073508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).