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

C16H24N2O — CID 3947032

IUPACN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)10-17-16(19)12-18-9-3-4-14(2)11-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyKOSXHIGJDNZQNK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 3947032) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID3947032
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)10-17-16(19)12-18-9-3-4-14(2)11-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyKOSXHIGJDNZQNK-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 3947032) is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is Cc1ccc(CNC(=O)CN2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is KOSXHIGJDNZQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)10-17-16(19)12-18-9-3-4-14(2)11-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3947032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).