1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one

C20H23FN2O3 — CID 70705168

IUPAC1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O3/c21-17-6-8-18(9-7-17)26-15-16-4-3-12-23(14-16)20(25)10-13-22-11-2-1-5-19(22)24/h1-2,5-9,11,16H,3-4,10,12-15H2
InChIKeyVJJSSTCEOUZLBG-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.70
Rot. Bonds6

About 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 70705168) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID70705168
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O3/c21-17-6-8-18(9-7-17)26-15-16-4-3-12-23(14-16)20(25)10-13-22-11-2-1-5-19(22)24/h1-2,5-9,11,16H,3-4,10,12-15H2
InChIKeyVJJSSTCEOUZLBG-UHFFFAOYSA-N
XLogP2.70
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopropyl-5-{[4-(3-fluorophenoxy)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24793193
1-Cyclopropyl-5-{[4-(2-fluorophenoxy)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24816639
1-Cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
CID 24791088
Tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 67154710
1-Methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
CID 47545020
Cyclobutyl[4-(3-fluorophenoxy)piperidino]methanone
CID 53014145
1-Cyclohexanecarbonyl-4-[2-(2-fluorophenoxy)ethyl]piperidine
CID 53037979
1-Cyclohexanecarbonyl-4-[2-(3-fluorophenoxy)ethyl]piperidine
CID 53037992
1-{4-[2-(3-Fluorophenoxy)ethyl]piperidin-1-YL}-3-methylbutan-1-one
CID 53037997
1-{4-[2-(3-Fluorophenoxy)ethyl]piperidino}-3,3-dimethyl-1-butanone
CID 53037999
1-Cyclopentanecarbonyl-4-[2-(3-fluorophenoxy)ethyl]piperidine
CID 53038000
1-Cyclobutanecarbonyl-4-[2-(3-fluorophenoxy)ethyl]piperidine
CID 53038001

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 70705168) is 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is VJJSSTCEOUZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-6-8-18(9-7-17)26-15-16-4-3-12-23(14-16)20(25)10-13-22-11-2-1-5-19(22)24/h1-2,5-9,11,16H,3-4,10,12-15H2.
What are the key properties of 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 358.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 70705168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).