N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide

C15H22N2O — CID 112541665

IUPACN-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(c2ccc(C)cc2)CN(C)C1
InChIInChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)14-8-15(16-12(2)18)10-17(3)9-14/h4-7,14-15H,8-10H2,1-3H3,(H,16,18)
InChIKeyIVSFCQMXELQJHI-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.92
Rot. Bonds2

About N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide

N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide (PubChem CID 112541665) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
PubChem CID112541665
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(c2ccc(C)cc2)CN(C)C1
InChIInChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)14-8-15(16-12(2)18)10-17(3)9-14/h4-7,14-15H,8-10H2,1-3H3,(H,16,18)
InChIKeyIVSFCQMXELQJHI-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide (CID 112541665) is N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide is CC(=O)NC1CC(c2ccc(C)cc2)CN(C)C1.
What is the InChIKey of N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide?
The InChIKey is IVSFCQMXELQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)14-8-15(16-12(2)18)10-17(3)9-14/h4-7,14-15H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide?
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 112541665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).