1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one

C33H30FN3O5 — CID 58073193

IUPAC1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H30FN3O5/c1-22(38)18-23-2-8-27(9-3-23)41-29-14-16-37(17-15-29)33(40)30-12-5-25(21-35-30)31(39)19-24-4-13-32(36-20-24)42-28-10-6-26(34)7-11-28/h2-13,20-21,29H,14-19H2,1H3
InChIKeyYRJAMRBUGKLPOB-UHFFFAOYSA-N
MW567.62 g/mol
LogP5.65
Rot. Bonds10

About 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one

1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one (PubChem CID 58073193) has the molecular formula C33H30FN3O5 and a molecular weight of 567.62 g/mol. Its IUPAC name is 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one
PubChem CID58073193
Molecular FormulaC33H30FN3O5
Molecular Weight567.62 g/mol
Exact Mass567.22
IUPAC Name1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H30FN3O5/c1-22(38)18-23-2-8-27(9-3-23)41-29-14-16-37(17-15-29)33(40)30-12-5-25(21-35-30)31(39)19-24-4-13-32(36-20-24)42-28-10-6-26(34)7-11-28/h2-13,20-21,29H,14-19H2,1H3
InChIKeyYRJAMRBUGKLPOB-UHFFFAOYSA-N
XLogP5.65
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one with MolForge

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Related Compounds

2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoro-N-[4-[(6-methylpyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59190402
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-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
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one (CID 58073193) is 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one is CC(=O)Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one?
The InChIKey is YRJAMRBUGKLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN3O5/c1-22(38)18-23-2-8-27(9-3-23)41-29-14-16-37(17-15-29)33(40)30-12-5-25(21-35-30)31(39)19-24-4-13-32(36-20-24)42-28-10-6-26(34)7-11-28/h2-13,20-21,29H,14-19H2,1H3.
What are the key properties of 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one?
1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one has a molecular weight of 567.62 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[5-[2-[6-(4-fluorophenoxy)-3-pyridinyl]acetyl]pyridine-2-carbonyl]piperidin-4-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58073193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).