2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide

C17H26N2O — CID 62538178

IUPAC2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C17H26N2O/c1-13-5-6-14(2)16(10-13)11-17(20)19-9-7-15-4-3-8-18-12-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyMYDRNXWRKVGVHD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.35
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide

2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 62538178) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID62538178
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C17H26N2O/c1-13-5-6-14(2)16(10-13)11-17(20)19-9-7-15-4-3-8-18-12-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyMYDRNXWRKVGVHD-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide (CID 62538178) is 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide is Cc1ccc(C)c(CC(=O)NCCC2CCCNC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is MYDRNXWRKVGVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-6-14(2)16(10-13)11-17(20)19-9-7-15-4-3-8-18-12-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide?
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 62538178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).