N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C16H26ClN3O2 — CID 119922615

IUPACN-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2ccccc2OC)CC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-17-11-13-7-9-19(10-8-13)12-16(20)18-14-5-3-4-6-15(14)21-2;/h3-6,13,17H,7-12H2,1-2H3,(H,18,20);1H
InChIKeyIRJRKUAGWWMRCR-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.99
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119922615) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119922615
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2ccccc2OC)CC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-17-11-13-7-9-19(10-8-13)12-16(20)18-14-5-3-4-6-15(14)21-2;/h3-6,13,17H,7-12H2,1-2H3,(H,18,20);1H
InChIKeyIRJRKUAGWWMRCR-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119922615) is N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CNCC1CCN(CC(=O)Nc2ccccc2OC)CC1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is IRJRKUAGWWMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-17-11-13-7-9-19(10-8-13)12-16(20)18-14-5-3-4-6-15(14)21-2;/h3-6,13,17H,7-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119922615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).