2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride

C17H27ClN2O3 — CID 119474033

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(14-5-4-8-18-11-14)19-17(20)10-13-6-7-15(21-2)16(9-13)22-3;/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyPJQVQGDQVBQXIW-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.17
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride

2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119474033) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119474033
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(14-5-4-8-18-11-14)19-17(20)10-13-6-7-15(21-2)16(9-13)22-3;/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyPJQVQGDQVBQXIW-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474046
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790264
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119474033) is 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride is COc1ccc(CC(=O)NC(C)C2CCCNC2)cc1OC.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is PJQVQGDQVBQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-12(14-5-4-8-18-11-14)19-17(20)10-13-6-7-15(21-2)16(9-13)22-3;/h6-7,9,12,14,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).