1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone

C33H35F2N3O4 — CID 58073243

IUPAC1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
SMILESCOc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H35F2N3O4/c1-42-27-6-2-23(3-7-27)21-37-14-10-22(11-15-37)18-31(39)30-9-4-25(20-36-30)33(41)38-16-12-24(13-17-38)32(40)28-8-5-26(34)19-29(28)35/h2-9,19-20,22,24H,10-18,21H2,1H3
InChIKeyYJJWUFQTYXMLRM-UHFFFAOYSA-N
MW575.66 g/mol
LogP5.59
Rot. Bonds9

About 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone

1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone (PubChem CID 58073243) has the molecular formula C33H35F2N3O4 and a molecular weight of 575.66 g/mol. Its IUPAC name is 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
PubChem CID58073243
Molecular FormulaC33H35F2N3O4
Molecular Weight575.66 g/mol
Exact Mass575.26
IUPAC Name1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
SMILESCOc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H35F2N3O4/c1-42-27-6-2-23(3-7-27)21-37-14-10-22(11-15-37)18-31(39)30-9-4-25(20-36-30)33(41)38-16-12-24(13-17-38)32(40)28-8-5-26(34)19-29(28)35/h2-9,19-20,22,24H,10-18,21H2,1H3
InChIKeyYJJWUFQTYXMLRM-UHFFFAOYSA-N
XLogP5.59
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.66
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]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
(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
(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 9579331
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
5-(3,5-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060900
1-[4-[4-[4-[2,6-Bis(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375927
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 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone (CID 58073243) is 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone is COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5F)CC4)cn3)CC2)cc1.
What is the InChIKey of 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The InChIKey is YJJWUFQTYXMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F2N3O4/c1-42-27-6-2-23(3-7-27)21-37-14-10-22(11-15-37)18-31(39)30-9-4-25(20-36-30)33(41)38-16-12-24(13-17-38)32(40)28-8-5-26(34)19-29(28)35/h2-9,19-20,22,24H,10-18,21H2,1H3.
What are the key properties of 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone has a molecular weight of 575.66 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 58073243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).