2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C17H26Cl2N2O2 — CID 119823009

IUPAC2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(Cl)cc1C)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-3-10-20(15-6-8-19-9-7-15)17(21)12-22-16-5-4-14(18)11-13(16)2;/h4-5,11,15,19H,3,6-10,12H2,1-2H3;1H
InChIKeyZJTFSPHUVRBVQL-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119823009) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119823009
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(Cl)cc1C)C1CCNCC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-3-10-20(15-6-8-19-9-7-15)17(21)12-22-16-5-4-14(18)11-13(16)2;/h4-5,11,15,19H,3,6-10,12H2,1-2H3;1H
InChIKeyZJTFSPHUVRBVQL-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119823009) is 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)COc1ccc(Cl)cc1C)C1CCNCC1.Cl.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is ZJTFSPHUVRBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c1-3-10-20(15-6-8-19-9-7-15)17(21)12-22-16-5-4-14(18)11-13(16)2;/h4-5,11,15,19H,3,6-10,12H2,1-2H3;1H.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119823009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).