2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C18H29ClN2O2 — CID 119825872

IUPAC2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COCCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-13-20(17-8-11-19-12-9-17)18(21)15-22-14-10-16-6-4-3-5-7-16;/h3-7,17,19H,2,8-15H2,1H3;1H
InChIKeyCLQKHOGGONJXKY-UHFFFAOYSA-N
MW340.89 g/mol
LogP2.66
Rot. Bonds8

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

2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119825872) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119825872
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC Name2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COCCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-13-20(17-8-11-19-12-9-17)18(21)15-22-14-10-16-6-4-3-5-7-16;/h3-7,17,19H,2,8-15H2,1H3;1H
InChIKeyCLQKHOGGONJXKY-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 52.66
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

2-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119825872) is 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)COCCc1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is CLQKHOGGONJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-2-13-20(17-8-11-19-12-9-17)18(21)15-22-14-10-16-6-4-3-5-7-16;/h3-7,17,19H,2,8-15H2,1H3;1H.
What are the key properties of 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119825872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).