2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C33H30FN3O4 — CID 58073394

IUPAC2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H30FN3O4/c1-41-29-11-5-24(6-12-29)32(39)25-14-16-37(17-15-25)33(40)30-13-7-26(21-36-30)31(38)19-23-4-10-28(35-20-23)18-22-2-8-27(34)9-3-22/h2-13,20-21,25H,14-19H2,1H3
InChIKeyCJYQAKMKGZWRNM-UHFFFAOYSA-N
MW551.62 g/mol
LogP5.38
Rot. Bonds9

About 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073394) has the molecular formula C33H30FN3O4 and a molecular weight of 551.62 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073394
Molecular FormulaC33H30FN3O4
Molecular Weight551.62 g/mol
Exact Mass551.22
IUPAC Name2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H30FN3O4/c1-41-29-11-5-24(6-12-29)32(39)25-14-16-37(17-15-25)33(40)30-13-7-26(21-36-30)31(38)19-23-4-10-28(35-20-23)18-22-2-8-27(34)9-3-22/h2-13,20-21,25H,14-19H2,1H3
InChIKeyCJYQAKMKGZWRNM-UHFFFAOYSA-N
XLogP5.38
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone 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
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498201
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-methoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 9579327
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
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073394) is 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Cc5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is CJYQAKMKGZWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN3O4/c1-41-29-11-5-24(6-12-29)32(39)25-14-16-37(17-15-25)33(40)30-13-7-26(21-36-30)31(38)19-23-4-10-28(35-20-23)18-22-2-8-27(34)9-3-22/h2-13,20-21,25H,14-19H2,1H3.
What are the key properties of 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 551.62 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).