2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride

C19H32ClN3O — CID 119928048

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2c(C)cccc2CC)CC1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-4-17-8-6-7-15(3)19(17)21-18(23)14-22-11-9-16(10-12-22)13-20-5-2;/h6-8,16,20H,4-5,9-14H2,1-3H3,(H,21,23);1H
InChIKeyIYQQNBSFVNHKIX-UHFFFAOYSA-N
MW353.94 g/mol
LogP3.24
Rot. Bonds7

About 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride (PubChem CID 119928048) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
PubChem CID119928048
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2c(C)cccc2CC)CC1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-4-17-8-6-7-15(3)19(17)21-18(23)14-22-11-9-16(10-12-22)13-20-5-2;/h6-8,16,20H,4-5,9-14H2,1-3H3,(H,21,23);1H
InChIKeyIYQQNBSFVNHKIX-UHFFFAOYSA-N
XLogP3.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014562
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride (CID 119928048) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride is CCNCC1CCN(CC(=O)Nc2c(C)cccc2CC)CC1.Cl.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride?
The InChIKey is IYQQNBSFVNHKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-4-17-8-6-7-15(3)19(17)21-18(23)14-22-11-9-16(10-12-22)13-20-5-2;/h6-8,16,20H,4-5,9-14H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride?
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119928048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).