2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide

C16H24N2O — CID 54943798

IUPAC2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
SMILESCc1ccccc1CC(=O)NCCC1CCNCC1
InChIInChI=1S/C16H24N2O/c1-13-4-2-3-5-15(13)12-16(19)18-11-8-14-6-9-17-10-7-14/h2-5,14,17H,6-12H2,1H3,(H,18,19)
InChIKeyXIRSLQGNXUOLNR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide

2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide (PubChem CID 54943798) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
PubChem CID54943798
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
SMILESCc1ccccc1CC(=O)NCCC1CCNCC1
InChIInChI=1S/C16H24N2O/c1-13-4-2-3-5-15(13)12-16(19)18-11-8-14-6-9-17-10-7-14/h2-5,14,17H,6-12H2,1H3,(H,18,19)
InChIKeyXIRSLQGNXUOLNR-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-(2-hydroxyphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 80740941
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide (CID 54943798) is 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide is Cc1ccccc1CC(=O)NCCC1CCNCC1.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide?
The InChIKey is XIRSLQGNXUOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-2-3-5-15(13)12-16(19)18-11-8-14-6-9-17-10-7-14/h2-5,14,17H,6-12H2,1H3,(H,18,19).
What are the key properties of 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide?
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide is sourced from PubChem (CID 54943798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).