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

C16H23Cl4N3O — CID 119928016

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C16H22Cl3N3O.ClH/c1-2-20-9-11-3-5-22(6-4-11)10-15(23)21-16-13(18)7-12(17)8-14(16)19;/h7-8,11,20H,2-6,9-10H2,1H3,(H,21,23);1H
InChIKeyDIZBBCYZTFNWGR-UHFFFAOYSA-N
MW415.19 g/mol
LogP4.33
Rot. Bonds6

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

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride (PubChem CID 119928016) has the molecular formula C16H23Cl4N3O and a molecular weight of 415.19 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
PubChem CID119928016
Molecular FormulaC16H23Cl4N3O
Molecular Weight415.19 g/mol
Exact Mass413.06
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C16H22Cl3N3O.ClH/c1-2-20-9-11-3-5-22(6-4-11)10-15(23)21-16-13(18)7-12(17)8-14(16)19;/h7-8,11,20H,2-6,9-10H2,1H3,(H,21,23);1H
InChIKeyDIZBBCYZTFNWGR-UHFFFAOYSA-N
XLogP4.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.19
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride (CID 119928016) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride is CCNCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1.Cl.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
The InChIKey is DIZBBCYZTFNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl3N3O.ClH/c1-2-20-9-11-3-5-22(6-4-11)10-15(23)21-16-13(18)7-12(17)8-14(16)19;/h7-8,11,20H,2-6,9-10H2,1H3,(H,21,23);1H.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride?
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride has a molecular weight of 415.19 g/mol, XLogP of 4.33, 6 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-(2,4,6-trichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119928016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).