2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C16H23ClF2N2O2 — CID 119824020

IUPAC2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-2-9-20(13-5-7-19-8-6-13)16(21)11-22-15-4-3-12(17)10-14(15)18;/h3-4,10,13,19H,2,5-9,11H2,1H3;1H
InChIKeyQPSSIJBUPGWJLA-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.76
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119824020) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119824020
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC Name2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-2-9-20(13-5-7-19-8-6-13)16(21)11-22-15-4-3-12(17)10-14(15)18;/h3-4,10,13,19H,2,5-9,11H2,1H3;1H
InChIKeyQPSSIJBUPGWJLA-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
N-cyclopropyl-2-(2,4-difluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 43577200
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
N-cyclobutyl-2-(2,4-difluorophenoxy)-N-(3-hydroxypropyl)acetamide
CID 102866483
2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119824020) is 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)COc1ccc(F)cc1F)C1CCNCC1.Cl.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is QPSSIJBUPGWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-2-9-20(13-5-7-19-8-6-13)16(21)11-22-15-4-3-12(17)10-14(15)18;/h3-4,10,13,19H,2,5-9,11H2,1H3;1H.
What are the key properties of 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119824020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).