2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide

C22H33F2N3O2 — CID 91366186

IUPAC2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
SMILESCCOC(C(N)=O)C1CCC(CCN2CCN(c3cccc(F)c3F)CC2)CC1
InChIInChI=1S/C22H33F2N3O2/c1-2-29-21(22(25)28)17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(23)20(19)24/h3-5,16-17,21H,2,6-15H2,1H3,(H2,25,28)
InChIKeyLQKTXAMJMWQBBG-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.17
Rot. Bonds8

About 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide

2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide (PubChem CID 91366186) has the molecular formula C22H33F2N3O2 and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
PubChem CID91366186
Molecular FormulaC22H33F2N3O2
Molecular Weight409.52 g/mol
Exact Mass409.25
IUPAC Name2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
SMILESCCOC(C(N)=O)C1CCC(CCN2CCN(c3cccc(F)c3F)CC2)CC1
InChIInChI=1S/C22H33F2N3O2/c1-2-29-21(22(25)28)17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(23)20(19)24/h3-5,16-17,21H,2,6-15H2,1H3,(H2,25,28)
InChIKeyLQKTXAMJMWQBBG-UHFFFAOYSA-N
XLogP3.17
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90939048
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
CID 91468660
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-7-methoxyheptan-4-one
CID 118486319
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propan-2-one
CID 24781798
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
CID 67532992
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The IUPAC name of 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide (CID 91366186) is 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide.
What is the SMILES notation for 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The canonical SMILES for 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide is CCOC(C(N)=O)C1CCC(CCN2CCN(c3cccc(F)c3F)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The InChIKey is LQKTXAMJMWQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N3O2/c1-2-29-21(22(25)28)17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(23)20(19)24/h3-5,16-17,21H,2,6-15H2,1H3,(H2,25,28).
What are the key properties of 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide has a molecular weight of 409.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide is sourced from PubChem (CID 91366186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).