1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C20H26F2N2O2 — CID 45204009

IUPAC1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(CCc2ccc(F)cc2F)C1
InChIInChI=1S/C20H26F2N2O2/c21-17-9-8-16(18(22)12-17)7-6-15-4-3-11-23(13-15)20(26)14-24-10-2-1-5-19(24)25/h8-9,12,15H,1-7,10-11,13-14H2
InChIKeyJQGXUOIMOFKQDP-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 45204009) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID45204009
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(CCc2ccc(F)cc2F)C1
InChIInChI=1S/C20H26F2N2O2/c21-17-9-8-16(18(22)12-17)7-6-15-4-3-11-23(13-15)20(26)14-24-10-2-1-5-19(24)25/h8-9,12,15H,1-7,10-11,13-14H2
InChIKeyJQGXUOIMOFKQDP-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-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

4-Phenyl-1-[(R)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-butan-1-one
CID 10736870
Pipamperone metabolite M-VIII
CID 169501973
1-(3-Cyclohexen-1-ylmethyl)-4-(phenylacetyl)piperazine
CID 2881340
1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1-yl}-3-(4-fluoro-phenyl)-propan-1-one
CID 11113605
8-[2-(4-Phenylpiperidin-1-YL)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11348796
1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1-yl}-4-phenyl-butan-1-one
CID 11730467
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
N-{[1-({1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinyl}carbonyl)-4-piperidinyl]methyl}acetamide
CID 24794305
[(1R,2S)-2-(4-Fluoro-phenyl)-cyclopropyl]-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone
CID 44316698
(E)-1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-3-(2,6-difluorophenyl)prop-2-en-1-one
CID 44474115
6,6-bis(4-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
CID 46880111
2-(2-Fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9117208

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 45204009) is 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCCC(CCc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is JQGXUOIMOFKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-17-9-8-16(18(22)12-17)7-6-15-4-3-11-23(13-15)20(26)14-24-10-2-1-5-19(24)25/h8-9,12,15H,1-7,10-11,13-14H2.
What are the key properties of 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 364.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 45204009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).