2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide

C15H18Cl4N2O — CID 55353545

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCC1CC(C)CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C15H18Cl4N2O/c1-8-3-9(2)6-21(5-8)7-12(22)20-15-13(18)10(16)4-11(17)14(15)19/h4,8-9H,3,5-7H2,1-2H3,(H,20,22)
InChIKeyAJWSUZRCHADVRF-UHFFFAOYSA-N
MW384.13 g/mol
LogP5.22
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 55353545) has the molecular formula C15H18Cl4N2O and a molecular weight of 384.13 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID55353545
Molecular FormulaC15H18Cl4N2O
Molecular Weight384.13 g/mol
Exact Mass382.02
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCC1CC(C)CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C15H18Cl4N2O/c1-8-3-9(2)6-21(5-8)7-12(22)20-15-13(18)10(16)4-11(17)14(15)19/h4,8-9H,3,5-7H2,1-2H3,(H,20,22)
InChIKeyAJWSUZRCHADVRF-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.13
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 55353545) is 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide is CC1CC(C)CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is AJWSUZRCHADVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl4N2O/c1-8-3-9(2)6-21(5-8)7-12(22)20-15-13(18)10(16)4-11(17)14(15)19/h4,8-9H,3,5-7H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 384.13 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 55353545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).