2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone

C32H28FN3O4 — CID 58073539

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C32H28FN3O4/c1-21-2-5-23(6-3-21)31(38)24-14-16-36(17-15-24)32(39)25-7-12-28(34-20-25)29(37)18-22-4-13-30(35-19-22)40-27-10-8-26(33)9-11-27/h2-13,19-20,24H,14-18H2,1H3
InChIKeyLEMUXDXWVMNGFG-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.88
Rot. Bonds8

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone

2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone (PubChem CID 58073539) has the molecular formula C32H28FN3O4 and a molecular weight of 537.59 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
PubChem CID58073539
Molecular FormulaC32H28FN3O4
Molecular Weight537.59 g/mol
Exact Mass537.21
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C32H28FN3O4/c1-21-2-5-23(6-3-21)31(38)24-14-16-36(17-15-24)32(39)25-7-12-28(34-20-25)29(37)18-22-4-13-30(35-19-22)40-27-10-8-26(33)9-11-27/h2-13,19-20,24H,14-18H2,1H3
InChIKeyLEMUXDXWVMNGFG-UHFFFAOYSA-N
XLogP5.88
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-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
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
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)-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
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-((cis)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710444
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710519

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone (CID 58073539) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The InChIKey is LEMUXDXWVMNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O4/c1-21-2-5-23(6-3-21)31(38)24-14-16-36(17-15-24)32(39)25-7-12-28(34-20-25)29(37)18-22-4-13-30(35-19-22)40-27-10-8-26(33)9-11-27/h2-13,19-20,24H,14-18H2,1H3.
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone has a molecular weight of 537.59 g/mol, XLogP of 5.88, 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-[5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58073539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).