2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

C22H27F2N3O4 — CID 70044853

IUPAC2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OCC(O)CN1CCN(C(C(N)=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H27F2N3O4/c1-30-19-4-2-3-5-20(19)31-14-18(28)13-26-6-8-27(9-7-26)21(22(25)29)15-10-16(23)12-17(24)11-15/h2-5,10-12,18,21,28H,6-9,13-14H2,1H3,(H2,25,29)
InChIKeyVMGHYFJDCOLGBX-UHFFFAOYSA-N
MW435.47 g/mol
LogP1.56
Rot. Bonds9

About 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 70044853) has the molecular formula C22H27F2N3O4 and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
PubChem CID70044853
Molecular FormulaC22H27F2N3O4
Molecular Weight435.47 g/mol
Exact Mass435.20
IUPAC Name2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OCC(O)CN1CCN(C(C(N)=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C22H27F2N3O4/c1-30-19-4-2-3-5-20(19)31-14-18(28)13-26-6-8-27(9-7-26)21(22(25)29)15-10-16(23)12-17(24)11-15/h2-5,10-12,18,21,28H,6-9,13-14H2,1H3,(H2,25,29)
InChIKeyVMGHYFJDCOLGBX-UHFFFAOYSA-N
XLogP1.56
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 70044151
2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-2-(4-methylsulfinylphenyl)acetamide
CID 70045150
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
2-[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-2-(4-methylphenyl)acetamide
CID 70048413
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (CID 70044853) is 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is COc1ccccc1OCC(O)CN1CCN(C(C(N)=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is VMGHYFJDCOLGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4/c1-30-19-4-2-3-5-20(19)31-14-18(28)13-26-6-8-27(9-7-26)21(22(25)29)15-10-16(23)12-17(24)11-15/h2-5,10-12,18,21,28H,6-9,13-14H2,1H3,(H2,25,29).
What are the key properties of 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 435.47 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 70044853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).