1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide

C17H26ClN2O2+ — CID 53350247

IUPAC1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide
SMILESCCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1
InChIKeySNNSHVLURVGEND-UHFFFAOYSA-O
MW325.86 g/mol
LogP1.54
Rot. Bonds7

About 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide

1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide (PubChem CID 53350247) has the molecular formula C17H26ClN2O2+ and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide
PubChem CID53350247
Molecular FormulaC17H26ClN2O2+
Molecular Weight325.86 g/mol
Exact Mass325.17
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide
SMILESCCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1
InChIKeySNNSHVLURVGEND-UHFFFAOYSA-O
XLogP1.54
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
1-[2-(4-Chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
2-(4-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 835819
4-(4-Chlorophenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 1565337
4-(4-chloro-2-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 2225380
2-(4-chloro-3-methylphenoxy)-N-[3-(4-morpholinyl)propyl]propanamide
CID 2995844
Ethyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-3-piperidinecarboxylate
CID 3152622
1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24793219
1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24818924
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24818980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide (CID 53350247) is 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide is CCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide?
The InChIKey is SNNSHVLURVGEND-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide?
1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide has a molecular weight of 325.86 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide is sourced from PubChem (CID 53350247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).