4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide

C34H30F2N4O5 — CID 58073569

IUPAC4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1
InChIInChI=1S/C34H30F2N4O5/c1-39(2)33(43)23-4-8-26(9-5-23)45-31-12-3-21(19-38-31)17-30(41)24-6-11-29(37-20-24)34(44)40-15-13-22(14-16-40)32(42)27-10-7-25(35)18-28(27)36/h3-12,18-20,22H,13-17H2,1-2H3
InChIKeyRKESOSKMDDWIGJ-UHFFFAOYSA-N
MW612.63 g/mol
LogP5.41
Rot. Bonds9

About 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide

4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide (PubChem CID 58073569) has the molecular formula C34H30F2N4O5 and a molecular weight of 612.63 g/mol. Its IUPAC name is 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide
PubChem CID58073569
Molecular FormulaC34H30F2N4O5
Molecular Weight612.63 g/mol
Exact Mass612.22
IUPAC Name4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1
InChIInChI=1S/C34H30F2N4O5/c1-39(2)33(43)23-4-8-26(9-5-23)45-31-12-3-21(19-38-31)17-30(41)24-6-11-29(37-20-24)34(44)40-15-13-22(14-16-40)32(42)27-10-7-25(35)18-28(27)36/h3-12,18-20,22H,13-17H2,1-2H3
InChIKeyRKESOSKMDDWIGJ-UHFFFAOYSA-N
XLogP5.41
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.63
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperazine-1-carbonyl)picolinamide
CID 56650669
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
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
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide (CID 58073569) is 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2ccc(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)nc3)cn2)cc1.
What is the InChIKey of 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide?
The InChIKey is RKESOSKMDDWIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N4O5/c1-39(2)33(43)23-4-8-26(9-5-23)45-31-12-3-21(19-38-31)17-30(41)24-6-11-29(37-20-24)34(44)40-15-13-22(14-16-40)32(42)27-10-7-25(35)18-28(27)36/h3-12,18-20,22H,13-17H2,1-2H3.
What are the key properties of 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide?
4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide has a molecular weight of 612.63 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 58073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).