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

C33H36FN3O4 — CID 58073142

IUPAC1-[5-[4-(4-fluorobenzoyl)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)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H36FN3O4/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25/h2-11,21,23,26H,12-20,22H2,1H3
InChIKeyFSTFHOXIRRPFPX-UHFFFAOYSA-N
MW557.67 g/mol
LogP5.45
Rot. Bonds9

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

1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone (PubChem CID 58073142) has the molecular formula C33H36FN3O4 and a molecular weight of 557.67 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone
PubChem CID58073142
Molecular FormulaC33H36FN3O4
Molecular Weight557.67 g/mol
Exact Mass557.27
IUPAC Name1-[5-[4-(4-fluorobenzoyl)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)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H36FN3O4/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25/h2-11,21,23,26H,12-20,22H2,1H3
InChIKeyFSTFHOXIRRPFPX-UHFFFAOYSA-N
XLogP5.45
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone with MolForge

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Related Compounds

Orelabrutinib
CID 91667513
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
(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
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone (CID 58073142) is 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-fluorobenzoyl)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)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
The InChIKey is FSTFHOXIRRPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN3O4/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25/h2-11,21,23,26H,12-20,22H2,1H3.
What are the key properties of 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone?
1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone has a molecular weight of 557.67 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 58073142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).