2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

C20H23ClN2O — CID 155511803

IUPAC2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-15-3-2-4-19(13-15)22-20(24)14-23-11-9-17(10-12-23)16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyMGAAMGRSXKBQAO-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.47
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 155511803) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID155511803
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-15-3-2-4-19(13-15)22-20(24)14-23-11-9-17(10-12-23)16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyMGAAMGRSXKBQAO-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 155511803) is 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCC(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is MGAAMGRSXKBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-3-2-4-19(13-15)22-20(24)14-23-11-9-17(10-12-23)16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 342.87 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 155511803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).