2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C21H26Cl2N2O2 — CID 119443234

IUPAC2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C21H25ClN2O2.ClH/c1-24(18-9-11-23-12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H
InChIKeyZNFHXWLMBGEZSI-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.09
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119443234) has the molecular formula C21H26Cl2N2O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119443234
Molecular FormulaC21H26Cl2N2O2
Molecular Weight409.36 g/mol
Exact Mass408.14
IUPAC Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C21H25ClN2O2.ClH/c1-24(18-9-11-23-12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H
InChIKeyZNFHXWLMBGEZSI-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
CID 119583694
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562373
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119443234) is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)Cc1cccc(OCc2ccccc2Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is ZNFHXWLMBGEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2.ClH/c1-24(18-9-11-23-12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H.
What are the key properties of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 409.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119443234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).