N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C19H32ClN3O3 — CID 119918965

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC(C)c2cc(OC)c(OC)cc2C)C1.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-13-9-17(24-4)18(25-5)10-16(13)14(2)21-19(23)12-22-8-6-7-15(11-22)20-3;/h9-10,14-15,20H,6-8,11-12H2,1-5H3,(H,21,23);1H
InChIKeyOEIZQQPQKYAGSQ-UHFFFAOYSA-N
MW385.94 g/mol
LogP2.30
Rot. Bonds7

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119918965) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119918965
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC(C)c2cc(OC)c(OC)cc2C)C1.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-13-9-17(24-4)18(25-5)10-16(13)14(2)21-19(23)12-22-8-6-7-15(11-22)20-3;/h9-10,14-15,20H,6-8,11-12H2,1-5H3,(H,21,23);1H
InChIKeyOEIZQQPQKYAGSQ-UHFFFAOYSA-N
XLogP2.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 120773449
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
(3S)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956611
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 119920099
2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 119920423
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119918965) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NC(C)c2cc(OC)c(OC)cc2C)C1.Cl.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is OEIZQQPQKYAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.ClH/c1-13-9-17(24-4)18(25-5)10-16(13)14(2)21-19(23)12-22-8-6-7-15(11-22)20-3;/h9-10,14-15,20H,6-8,11-12H2,1-5H3,(H,21,23);1H.
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119918965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).