N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide

C23H26ClFN2O5 — CID 91537138

IUPACN-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide
SMILESCOc1c(Cl)cc(NC(C)=O)c(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C23H26ClFN2O5/c1-14-22(30-3)19(24)12-20(26-15(2)28)23(14)31-13-21(29)27-10-8-18(9-11-27)32-17-6-4-16(25)5-7-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,26,28)
InChIKeyIRAFSEWIVSNPQT-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.20
Rot. Bonds7

About N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide

N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide (PubChem CID 91537138) has the molecular formula C23H26ClFN2O5 and a molecular weight of 464.92 g/mol. Its IUPAC name is N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide
PubChem CID91537138
Molecular FormulaC23H26ClFN2O5
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC NameN-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide
SMILESCOc1c(Cl)cc(NC(C)=O)c(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C23H26ClFN2O5/c1-14-22(30-3)19(24)12-20(26-15(2)28)23(14)31-13-21(29)27-10-8-18(9-11-27)32-17-6-4-16(25)5-7-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,26,28)
InChIKeyIRAFSEWIVSNPQT-UHFFFAOYSA-N
XLogP4.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]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

2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 90941147
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118765848
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 3612489

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide?
The IUPAC name of N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide (CID 91537138) is N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide is COc1c(Cl)cc(NC(C)=O)c(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide?
The InChIKey is IRAFSEWIVSNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O5/c1-14-22(30-3)19(24)12-20(26-15(2)28)23(14)31-13-21(29)27-10-8-18(9-11-27)32-17-6-4-16(25)5-7-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,26,28).
What are the key properties of N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide?
N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide has a molecular weight of 464.92 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide is sourced from PubChem (CID 91537138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).