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

C22H28N2O — CID 618633

IUPACN-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-18-8-6-7-11-22(18)24(19(2)25)21-13-16-23(17-14-21)15-12-20-9-4-3-5-10-20/h3-11,21H,12-17H2,1-2H3
InChIKeyGRDWUDZBHWHLSH-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.06
Rot. Bonds5

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

N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 618633) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID618633
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-18-8-6-7-11-22(18)24(19(2)25)21-13-16-23(17-14-21)15-12-20-9-4-3-5-10-20/h3-11,21H,12-17H2,1-2H3
InChIKeyGRDWUDZBHWHLSH-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 618633) is N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is CC(=O)N(c1ccccc1C)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is GRDWUDZBHWHLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-8-6-7-11-22(18)24(19(2)25)21-13-16-23(17-14-21)15-12-20-9-4-3-5-10-20/h3-11,21H,12-17H2,1-2H3.
What are the key properties of N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 618633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).