2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

C14H19Cl3N2O2 — CID 120577794

IUPAC2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)COc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9-12(3-2-6-17-9)18-14(19)8-20-13-7-10(15)4-5-11(13)16;/h4-5,7,9,12,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyRCUTXAFWGPAGKI-UHFFFAOYSA-N
MW353.68 g/mol
LogP3.05
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (PubChem CID 120577794) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
PubChem CID120577794
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)COc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-9-12(3-2-6-17-9)18-14(19)8-20-13-7-10(15)4-5-11(13)16;/h4-5,7,9,12,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyRCUTXAFWGPAGKI-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577365
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120577990
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-(2-methylpiperidin-3-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 120577924
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
2-(4-chlorophenyl)sulfonyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576176
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (CID 120577794) is 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is CC1NCCCC1NC(=O)COc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The InChIKey is RCUTXAFWGPAGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c1-9-12(3-2-6-17-9)18-14(19)8-20-13-7-10(15)4-5-11(13)16;/h4-5,7,9,12,17H,2-3,6,8H2,1H3,(H,18,19);1H.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).