N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide

C15H19Cl3N2O — CID 46179091

IUPACN-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide
SMILESCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H19Cl3N2O/c1-2-20(12-4-3-11(16)14(17)15(12)18)13(21)9-10-5-7-19-8-6-10/h3-4,10,19H,2,5-9H2,1H3
InChIKeyWYSHGNBTFCAGNS-UHFFFAOYSA-N
MW349.69 g/mol
LogP4.39
Rot. Bonds4

About N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide

N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide (PubChem CID 46179091) has the molecular formula C15H19Cl3N2O and a molecular weight of 349.69 g/mol. Its IUPAC name is N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide
PubChem CID46179091
Molecular FormulaC15H19Cl3N2O
Molecular Weight349.69 g/mol
Exact Mass348.06
IUPAC NameN-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide
SMILESCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H19Cl3N2O/c1-2-20(12-4-3-11(16)14(17)15(12)18)13(21)9-10-5-7-19-8-6-10/h3-4,10,19H,2,5-9H2,1H3
InChIKeyWYSHGNBTFCAGNS-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide?
The IUPAC name of N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide (CID 46179091) is N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide.
What is the SMILES notation for N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide?
The canonical SMILES for N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide is CCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide?
The InChIKey is WYSHGNBTFCAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3N2O/c1-2-20(12-4-3-11(16)14(17)15(12)18)13(21)9-10-5-7-19-8-6-10/h3-4,10,19H,2,5-9H2,1H3.
What are the key properties of N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide?
N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide has a molecular weight of 349.69 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-4-yl-N-(2,3,4-trichlorophenyl)acetamide is sourced from PubChem (CID 46179091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).