2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride

C13H17Cl3N2O2 — CID 119386912

IUPAC2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)c(Cl)c1)NC1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-9-3-5-16-6-4-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H
InChIKeyJKKDNYYJYFVPGV-UHFFFAOYSA-N
MW339.65 g/mol
LogP2.66
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride

2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119386912) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119386912
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC Name2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)c(Cl)c1)NC1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-9-3-5-16-6-4-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H
InChIKeyJKKDNYYJYFVPGV-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
N-cyclopropyl-2-(3-fluoro-4-piperidin-4-ylphenoxy)acetamide;hydrochloride
CID 154814788
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 106500687
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride (CID 119386912) is 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride is Cl.O=C(COc1ccc(Cl)c(Cl)c1)NC1CCNCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is JKKDNYYJYFVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2.ClH/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-9-3-5-16-6-4-9;/h1-2,7,9,16H,3-6,8H2,(H,17,18);1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 339.65 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).