5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

C18H19ClF2N2O2 — CID 10155917

IUPAC5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H19ClF2N2O2/c19-14-7-13(18(24)22-9-14)10-23-5-3-12(4-6-23)11-25-17-8-15(20)1-2-16(17)21/h1-2,7-9,12H,3-6,10-11H2,(H,22,24)
InChIKeyJYSUOSXUGJLYAR-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.60
Rot. Bonds5

About 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 10155917) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID10155917
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H19ClF2N2O2/c19-14-7-13(18(24)22-9-14)10-23-5-3-12(4-6-23)11-25-17-8-15(20)1-2-16(17)21/h1-2,7-9,12H,3-6,10-11H2,(H,22,24)
InChIKeyJYSUOSXUGJLYAR-UHFFFAOYSA-N
XLogP3.60
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 10155917) is 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1CN1CCC(COc2cc(F)ccc2F)CC1.
What is the InChIKey of 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is JYSUOSXUGJLYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2/c19-14-7-13(18(24)22-9-14)10-23-5-3-12(4-6-23)11-25-17-8-15(20)1-2-16(17)21/h1-2,7-9,12H,3-6,10-11H2,(H,22,24).
What are the key properties of 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 368.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 10155917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).