2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

C15H20Cl3N3O — CID 119922480

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl3N3O/c1-19-8-10-2-4-21(5-3-10)9-14(22)20-15-12(17)6-11(16)7-13(15)18/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyLESMZVVTMACQJA-UHFFFAOYSA-N
MW364.70 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 119922480) has the molecular formula C15H20Cl3N3O and a molecular weight of 364.70 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID119922480
Molecular FormulaC15H20Cl3N3O
Molecular Weight364.70 g/mol
Exact Mass363.07
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl3N3O/c1-19-8-10-2-4-21(5-3-10)9-14(22)20-15-12(17)6-11(16)7-13(15)18/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyLESMZVVTMACQJA-UHFFFAOYSA-N
XLogP3.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 60510321
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide (CID 119922480) is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is CNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is LESMZVVTMACQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N3O/c1-19-8-10-2-4-21(5-3-10)9-14(22)20-15-12(17)6-11(16)7-13(15)18/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,22).
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide?
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 364.70 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 119922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).