2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C15H21ClN2O2 — CID 2422308

IUPAC2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17-9-7-12(8-10-17)18(2)15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyQYQMDLDXMTYQNA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 2422308) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID2422308
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17-9-7-12(8-10-17)18(2)15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyQYQMDLDXMTYQNA-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 2422308) is 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is QYQMDLDXMTYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17-9-7-12(8-10-17)18(2)15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).