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

C18H27Cl3N2O2 — CID 119825419

IUPAC4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CCCOc1cccc(Cl)c1Cl)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O2.ClH/c1-2-12-22(14-8-10-21-11-9-14)17(23)7-4-13-24-16-6-3-5-15(19)18(16)20;/h3,5-6,14,21H,2,4,7-13H2,1H3;1H
InChIKeyGLPBBVLNKZGWLJ-UHFFFAOYSA-N
MW409.79 g/mol
LogP4.56
Rot. Bonds8

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

4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (PubChem CID 119825419) has the molecular formula C18H27Cl3N2O2 and a molecular weight of 409.79 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
PubChem CID119825419
Molecular FormulaC18H27Cl3N2O2
Molecular Weight409.79 g/mol
Exact Mass408.11
IUPAC Name4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CCCOc1cccc(Cl)c1Cl)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O2.ClH/c1-2-12-22(14-8-10-21-11-9-14)17(23)7-4-13-24-16-6-3-5-15(19)18(16)20;/h3,5-6,14,21H,2,4,7-13H2,1H3;1H
InChIKeyGLPBBVLNKZGWLJ-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (CID 119825419) is 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is CCCN(C(=O)CCCOc1cccc(Cl)c1Cl)C1CCNCC1.Cl.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The InChIKey is GLPBBVLNKZGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2.ClH/c1-2-12-22(14-8-10-21-11-9-14)17(23)7-4-13-24-16-6-3-5-15(19)18(16)20;/h3,5-6,14,21H,2,4,7-13H2,1H3;1H.
What are the key properties of 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride has a molecular weight of 409.79 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).