2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide

C17H26N2O — CID 6466086

IUPAC2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O/c1-3-10-19-11-8-16(9-12-19)18-17(20)13-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyHWXSGYJPSJDCBK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

About 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide

2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 6466086) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID6466086
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O/c1-3-10-19-11-8-16(9-12-19)18-17(20)13-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyHWXSGYJPSJDCBK-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide (CID 6466086) is 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)Cc2ccccc2C)CC1.
What is the InChIKey of 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is HWXSGYJPSJDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-19-11-8-16(9-12-19)18-17(20)13-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 6466086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).