2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C15H20Cl3N3O — CID 119925484

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl3N3O/c1-9(19)10-3-2-4-21(7-10)8-15(22)20-14-6-12(17)11(16)5-13(14)18/h5-6,9-10H,2-4,7-8,19H2,1H3,(H,20,22)
InChIKeyBHMFVMPIDXJADY-UHFFFAOYSA-N
MW364.70 g/mol
LogP3.64
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 119925484) has the molecular formula C15H20Cl3N3O and a molecular weight of 364.70 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID119925484
Molecular FormulaC15H20Cl3N3O
Molecular Weight364.70 g/mol
Exact Mass363.07
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C15H20Cl3N3O/c1-9(19)10-3-2-4-21(7-10)8-15(22)20-14-6-12(17)11(16)5-13(14)18/h5-6,9-10H,2-4,7-8,19H2,1H3,(H,20,22)
InChIKeyBHMFVMPIDXJADY-UHFFFAOYSA-N
XLogP3.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119925776
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide;hydrochloride
CID 119925366
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
CID 48938107
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119905192
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 17276248
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 99783586
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 115969204

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 119925484) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is CC(N)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is BHMFVMPIDXJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N3O/c1-9(19)10-3-2-4-21(7-10)8-15(22)20-14-6-12(17)11(16)5-13(14)18/h5-6,9-10H,2-4,7-8,19H2,1H3,(H,20,22).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 364.70 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 119925484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).