N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide

C22H31F2N3O4 — CID 75442082

IUPACN-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
SMILESCC1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C22H31F2N3O4/c1-15-13-26(14-16(2)31-15)7-8-30-20-3-5-27(6-4-20)21(28)12-25-22(29)17-9-18(23)11-19(24)10-17/h9-11,15-16,20H,3-8,12-14H2,1-2H3,(H,25,29)
InChIKeyLVIHGPVJYXIAIX-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.81
Rot. Bonds7

About N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide

N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 75442082) has the molecular formula C22H31F2N3O4 and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID75442082
Molecular FormulaC22H31F2N3O4
Molecular Weight439.50 g/mol
Exact Mass439.23
IUPAC NameN-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
SMILESCC1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C22H31F2N3O4/c1-15-13-26(14-16(2)31-15)7-8-30-20-3-5-27(6-4-20)21(28)12-25-22(29)17-9-18(23)11-19(24)10-17/h9-11,15-16,20H,3-8,12-14H2,1-2H3,(H,25,29)
InChIKeyLVIHGPVJYXIAIX-UHFFFAOYSA-N
XLogP1.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide 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

3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99824173
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
CID 127317600
(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone
CID 97333073
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
CID 97102416
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide (CID 75442082) is N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide is CC1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)CC(C)O1.
What is the InChIKey of N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is LVIHGPVJYXIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O4/c1-15-13-26(14-16(2)31-15)7-8-30-20-3-5-27(6-4-20)21(28)12-25-22(29)17-9-18(23)11-19(24)10-17/h9-11,15-16,20H,3-8,12-14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 439.50 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 75442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).