[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C27H29FN2O4 — CID 141328341

IUPAC[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3=CN(CCOc4ccc(F)cc4)CC=C3)CC2)cc1
InChIInChI=1S/C27H29FN2O4/c1-33-24-8-4-20(5-9-24)26(31)21-12-15-30(16-13-21)27(32)22-3-2-14-29(19-22)17-18-34-25-10-6-23(28)7-11-25/h2-11,19,21H,12-18H2,1H3
InChIKeyVJVMZAYBMLYDOY-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.09
Rot. Bonds8

About [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 141328341) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID141328341
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC Name[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C3=CN(CCOc4ccc(F)cc4)CC=C3)CC2)cc1
InChIInChI=1S/C27H29FN2O4/c1-33-24-8-4-20(5-9-24)26(31)21-12-15-30(16-13-21)27(32)22-3-2-14-29(19-22)17-18-34-25-10-6-23(28)7-11-25/h2-11,19,21H,12-18H2,1H3
InChIKeyVJVMZAYBMLYDOY-UHFFFAOYSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
CID 141328383
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073326
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665

Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 141328341) is [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)C3=CN(CCOc4ccc(F)cc4)CC=C3)CC2)cc1.
What is the InChIKey of [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VJVMZAYBMLYDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-33-24-8-4-20(5-9-24)26(31)21-12-15-30(16-13-21)27(32)22-3-2-14-29(19-22)17-18-34-25-10-6-23(28)7-11-25/h2-11,19,21H,12-18H2,1H3.
What are the key properties of [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 464.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(4-fluorophenoxy)ethyl]-2H-pyridine-5-carbonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 141328341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).