2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C18H30ClN3O — CID 119930334

IUPAC2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)CC2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13-9-14(2)18(15(3)10-13)20-17(22)12-21(4)11-16-5-7-19-8-6-16;/h9-10,16,19H,5-8,11-12H2,1-4H3,(H,20,22);1H
InChIKeyFVXFVGUADQIAOS-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.90
Rot. Bonds5

About 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 119930334) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID119930334
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)CC2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13-9-14(2)18(15(3)10-13)20-17(22)12-21(4)11-16-5-7-19-8-6-16;/h9-10,16,19H,5-8,11-12H2,1-4H3,(H,20,22);1H
InChIKeyFVXFVGUADQIAOS-UHFFFAOYSA-N
XLogP2.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79701270
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188
2-[[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8621837
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119269157
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
N-(2,6-dimethylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815623
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 119930334) is 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)CC2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is FVXFVGUADQIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-13-9-14(2)18(15(3)10-13)20-17(22)12-21(4)11-16-5-7-19-8-6-16;/h9-10,16,19H,5-8,11-12H2,1-4H3,(H,20,22);1H.
What are the key properties of 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119930334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).