2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C31H28FN3O4 — CID 58073242

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C31H28FN3O4/c1-21-2-8-25(9-3-21)38-27-14-16-35(17-15-27)31(37)28-12-5-23(20-33-28)29(36)18-22-4-13-30(34-19-22)39-26-10-6-24(32)7-11-26/h2-13,19-20,27H,14-18H2,1H3
InChIKeyQHAORAHQZDMSIQ-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.83
Rot. Bonds8

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073242) has the molecular formula C31H28FN3O4 and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073242
Molecular FormulaC31H28FN3O4
Molecular Weight525.58 g/mol
Exact Mass525.21
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C31H28FN3O4/c1-21-2-8-25(9-3-21)38-27-14-16-35(17-15-27)31(37)28-12-5-23(20-33-28)29(36)18-22-4-13-30(34-19-22)39-26-10-6-24(32)7-11-26/h2-13,19-20,27H,14-18H2,1H3
InChIKeyQHAORAHQZDMSIQ-UHFFFAOYSA-N
XLogP5.83
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

example 31 [WO2018183145]
CID 135349311
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
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-[(6-{2-[2-(4-Morpholinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274699
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)-5-(4-(4-cyanophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710291
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073242) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone is Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is QHAORAHQZDMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O4/c1-21-2-8-25(9-3-21)38-27-14-16-35(17-15-27)31(37)28-12-5-23(20-33-28)29(36)18-22-4-13-30(34-19-22)39-26-10-6-24(32)7-11-26/h2-13,19-20,27H,14-18H2,1H3.
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 525.58 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).