N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide

C22H28N2O — CID 22294993

IUPACN-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C22H28N2O/c1-18-8-6-7-9-20(18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-10-4-3-5-11-21/h3-11,22H,12-17H2,1-2H3
InChIKeyQTVCZKXTTIXGRA-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.06
Rot. Bonds5

About N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide

N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 22294993) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID22294993
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C22H28N2O/c1-18-8-6-7-9-20(18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-10-4-3-5-11-21/h3-11,22H,12-17H2,1-2H3
InChIKeyQTVCZKXTTIXGRA-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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Related Compounds

N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide
CID 68570082
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 139032969
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide (CID 22294993) is N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2C)CC1.
What is the InChIKey of N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is QTVCZKXTTIXGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-8-6-7-9-20(18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-10-4-3-5-11-21/h3-11,22H,12-17H2,1-2H3.
What are the key properties of N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide?
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide 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-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 22294993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).