N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide

C20H28FN3O4 — CID 139816110

IUPACN-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide
SMILESCOCCN1CCN(c2ccc([C@H]3CC(CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H28FN3O4/c1-14(25)22-13-16-12-17(20(26)28-16)15-3-4-19(18(21)11-15)24-7-5-23(6-8-24)9-10-27-2/h3-4,11,16-17H,5-10,12-13H2,1-2H3,(H,22,25)/t16?,17-/m1/s1
InChIKeyGXEPKXNPACGUQH-ZYMOGRSISA-N
MW393.46 g/mol
LogP1.13
Rot. Bonds7

About N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide

N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide (PubChem CID 139816110) has the molecular formula C20H28FN3O4 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide
PubChem CID139816110
Molecular FormulaC20H28FN3O4
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC NameN-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide
SMILESCOCCN1CCN(c2ccc([C@H]3CC(CNC(C)=O)OC3=O)cc2F)CC1
InChIInChI=1S/C20H28FN3O4/c1-14(25)22-13-16-12-17(20(26)28-16)15-3-4-19(18(21)11-15)24-7-5-23(6-8-24)9-10-27-2/h3-4,11,16-17H,5-10,12-13H2,1-2H3,(H,22,25)/t16?,17-/m1/s1
InChIKeyGXEPKXNPACGUQH-ZYMOGRSISA-N
XLogP1.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide 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

N-[[(2R)-4-[4-[4-(2-cyanoethyl)piperazin-1-yl]-3-fluorophenyl]-5-oxooxolan-2-yl]methyl]acetamide
CID 67654629
N-[[3-[3-fluoro-4-[2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700318
N-[[3-[3-fluoro-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462598
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one
CID 67654569
N-[[4-(4-iodophenyl)-5-oxooxolan-2-yl]methyl]acetamide
CID 18318549
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 141247804
N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462595
N-[[(5S)-3-[3-fluoro-4-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 146575781
N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296473
N-[[(5S)-3-[4-(1-ethanethioyl-2-methyl-1,2,5-triazepan-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90243643
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[3-[3-fluoro-4-[4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20726142

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide (CID 139816110) is N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide is COCCN1CCN(c2ccc([C@H]3CC(CNC(C)=O)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide?
The InChIKey is GXEPKXNPACGUQH-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H28FN3O4/c1-14(25)22-13-16-12-17(20(26)28-16)15-3-4-19(18(21)11-15)24-7-5-23(6-8-24)9-10-27-2/h3-4,11,16-17H,5-10,12-13H2,1-2H3,(H,22,25)/t16?,17-/m1/s1.
What are the key properties of N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide?
N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide has a molecular weight of 393.46 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 139816110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).