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

C30H24F3N3O4 — CID 58073244

IUPAC1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C30H24F3N3O4/c31-21-3-6-23(7-4-21)40-29-10-1-19(17-35-29)15-27(37)20-2-8-26(34-18-20)30(38)36-13-11-24(12-14-36)39-28-9-5-22(32)16-25(28)33/h1-10,16-18,24H,11-15H2
InChIKeyLKQKRYQPCBPJAE-UHFFFAOYSA-N
MW547.53 g/mol
LogP5.80
Rot. Bonds8

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

1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone (PubChem CID 58073244) has the molecular formula C30H24F3N3O4 and a molecular weight of 547.53 g/mol. Its IUPAC name is 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
PubChem CID58073244
Molecular FormulaC30H24F3N3O4
Molecular Weight547.53 g/mol
Exact Mass547.17
IUPAC Name1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)nc1
InChIInChI=1S/C30H24F3N3O4/c31-21-3-6-23(7-4-21)40-29-10-1-19(17-35-29)15-27(37)20-2-8-26(34-18-20)30(38)36-13-11-24(12-14-36)39-28-9-5-22(32)16-25(28)33/h1-10,16-18,24H,11-15H2
InChIKeyLKQKRYQPCBPJAE-UHFFFAOYSA-N
XLogP5.80
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-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
2-(2,4-difluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46868943
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 57412058
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
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-(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 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone (CID 58073244) is 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone is O=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)nc1.
What is the InChIKey of 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The InChIKey is LKQKRYQPCBPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O4/c31-21-3-6-23(7-4-21)40-29-10-1-19(17-35-29)15-27(37)20-2-8-26(34-18-20)30(38)36-13-11-24(12-14-36)39-28-9-5-22(32)16-25(28)33/h1-10,16-18,24H,11-15H2.
What are the key properties of 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone?
1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone has a molecular weight of 547.53 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-3-pyridinyl]-2-[6-(4-fluorophenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 58073244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).