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

C16H23ClN2O2 — CID 25236105

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,21-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(3)11-9-13/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyLZPAIUHCKPBOEV-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds4

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

2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 25236105) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID25236105
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,21-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(3)11-9-13/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyLZPAIUHCKPBOEV-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 25236105) is 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is LZPAIUHCKPBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,21-14-6-4-12(17)5-7-14)15(20)18-13-8-10-19(3)11-9-13/h4-7,13H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 25236105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).