N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride

C17H27ClN2O3 — CID 2901339

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3;/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);1H
InChIKeyLMWMUASKOJAKQA-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.19
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride (PubChem CID 2901339) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
PubChem CID2901339
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3;/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);1H
InChIKeyLMWMUASKOJAKQA-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride (CID 2901339) is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride is COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1.Cl.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride?
The InChIKey is LMWMUASKOJAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-13-6-9-19(10-7-13)11-8-17(20)18-15-12-14(21-2)4-5-16(15)22-3;/h4-5,12-13H,6-11H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride?
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2901339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).