N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide

C16H24N2O — CID 115160672

IUPACN-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1ccc(CNC(=O)CC2CCNCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-3-4-15(9-13(12)2)11-18-16(19)10-14-5-7-17-8-6-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyIMFHXWXQXNFMGR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.31
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide

N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 115160672) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
PubChem CID115160672
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1ccc(CNC(=O)CC2CCNCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-3-4-15(9-13(12)2)11-18-16(19)10-14-5-7-17-8-6-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyIMFHXWXQXNFMGR-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119835872
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-piperidin-4-ylacetamide
CID 92632152
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide (CID 115160672) is N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide is Cc1ccc(CNC(=O)CC2CCNCC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is IMFHXWXQXNFMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-4-15(9-13(12)2)11-18-16(19)10-14-5-7-17-8-6-14/h3-4,9,14,17H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide?
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 115160672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).