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

C17H25Cl3N2O2 — CID 119825395

IUPAC3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O2.ClH/c1-2-10-21(14-5-8-20-9-6-14)17(22)7-11-23-16-4-3-13(18)12-15(16)19;/h3-4,12,14,20H,2,5-11H2,1H3;1H
InChIKeyQEWLEQOEMORUEY-UHFFFAOYSA-N
MW395.76 g/mol
LogP4.17
Rot. Bonds7

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

3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119825395) has the molecular formula C17H25Cl3N2O2 and a molecular weight of 395.76 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119825395
Molecular FormulaC17H25Cl3N2O2
Molecular Weight395.76 g/mol
Exact Mass394.10
IUPAC Name3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O2.ClH/c1-2-10-21(14-5-8-20-9-6-14)17(22)7-11-23-16-4-3-13(18)12-15(16)19;/h3-4,12,14,20H,2,5-11H2,1H3;1H
InChIKeyQEWLEQOEMORUEY-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825419
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
3-[3-(2,4-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750562
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119825395) is 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CCOc1ccc(Cl)cc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is QEWLEQOEMORUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2.ClH/c1-2-10-21(14-5-8-20-9-6-14)17(22)7-11-23-16-4-3-13(18)12-15(16)19;/h3-4,12,14,20H,2,5-11H2,1H3;1H.
What are the key properties of 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 395.76 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119825395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).