2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide

C15H22N2O — CID 6469553

IUPAC2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)11-15(18)16-14-6-8-17(2)9-7-14/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyOFYIXIRAHGVAGQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide

2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 6469553) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID6469553
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)11-15(18)16-14-6-8-17(2)9-7-14/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyOFYIXIRAHGVAGQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 6469553) is 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide is Cc1cccc(CC(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is OFYIXIRAHGVAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-3-5-13(10-12)11-15(18)16-14-6-8-17(2)9-7-14/h3-5,10,14H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 6469553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).