N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C17H27ClFN3O2 — CID 119920388

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)N(C)CCOc2ccccc2F)C1.Cl
InChIInChI=1S/C17H26FN3O2.ClH/c1-19-14-6-5-9-21(12-14)13-17(22)20(2)10-11-23-16-8-4-3-7-15(16)18;/h3-4,7-8,14,19H,5-6,9-13H2,1-2H3;1H
InChIKeyDYBYIXDENCAGNO-UHFFFAOYSA-N
MW359.87 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119920388) has the molecular formula C17H27ClFN3O2 and a molecular weight of 359.87 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119920388
Molecular FormulaC17H27ClFN3O2
Molecular Weight359.87 g/mol
Exact Mass359.18
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)N(C)CCOc2ccccc2F)C1.Cl
InChIInChI=1S/C17H26FN3O2.ClH/c1-19-14-6-5-9-21(12-14)13-17(22)20(2)10-11-23-16-8-4-3-7-15(16)18;/h3-4,7-8,14,19H,5-6,9-13H2,1-2H3;1H
InChIKeyDYBYIXDENCAGNO-UHFFFAOYSA-N
XLogP1.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.87
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796659
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920408
2-(4-benzoyl-1,4-diazepan-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 78897950
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919099
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 120773429
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 119919979
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119920388) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)N(C)CCOc2ccccc2F)C1.Cl.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is DYBYIXDENCAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2.ClH/c1-19-14-6-5-9-21(12-14)13-17(22)20(2)10-11-23-16-8-4-3-7-15(16)18;/h3-4,7-8,14,19H,5-6,9-13H2,1-2H3;1H.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 359.87 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119920388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).