2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone

C31H32F2N2O4 — CID 58073187

IUPAC2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESO=C(CC1CCC(Oc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C31H32F2N2O4/c32-23-4-10-26(11-5-23)38-25-8-1-21(2-9-25)19-30(36)29-14-3-22(20-34-29)31(37)35-17-15-28(16-18-35)39-27-12-6-24(33)7-13-27/h3-7,10-14,20-21,25,28H,1-2,8-9,15-19H2
InChIKeyCKXXYHSRXMUEPF-UHFFFAOYSA-N
MW534.60 g/mol
LogP6.25
Rot. Bonds8

About 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone

2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone (PubChem CID 58073187) has the molecular formula C31H32F2N2O4 and a molecular weight of 534.60 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone
PubChem CID58073187
Molecular FormulaC31H32F2N2O4
Molecular Weight534.60 g/mol
Exact Mass534.23
IUPAC Name2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESO=C(CC1CCC(Oc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C31H32F2N2O4/c32-23-4-10-26(11-5-23)38-25-8-1-21(2-9-25)19-30(36)29-14-3-22(20-34-29)31(37)35-17-15-28(16-18-35)39-27-12-6-24(33)7-13-27/h3-7,10-14,20-21,25,28H,1-2,8-9,15-19H2
InChIKeyCKXXYHSRXMUEPF-UHFFFAOYSA-N
XLogP6.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.60
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone with MolForge

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Related Compounds

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CID 91667513
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
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(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
N,N-Diethyl-6-(spiro[chromene-2,4''-piperidine]-4-yl)nicotinamide
CID 44254061
Cyclopropyl-(4-{3-[(1S,4S)-5-(pyridine-2-carbonyl)-2,5-diaza-bicyclo[2.2.1]hept-2-yl]-propoxy}-phenyl)-methanone
CID 44334263
3-[[2-Oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425932
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone (CID 58073187) is 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone is O=C(CC1CCC(Oc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The InChIKey is CKXXYHSRXMUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O4/c32-23-4-10-26(11-5-23)38-25-8-1-21(2-9-25)19-30(36)29-14-3-22(20-34-29)31(37)35-17-15-28(16-18-35)39-27-12-6-24(33)7-13-27/h3-7,10-14,20-21,25,28H,1-2,8-9,15-19H2.
What are the key properties of 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone has a molecular weight of 534.60 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)cyclohexyl]-1-[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58073187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).