3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

C17H26N2O2 — CID 111476136

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCCCC1CCO
InChIInChI=1S/C17H26N2O2/c1-14-6-2-3-8-16(14)18-17(21)9-12-19-11-5-4-7-15(19)10-13-20/h2-3,6,8,15,20H,4-5,7,9-13H2,1H3,(H,18,21)
InChIKeyMCGPZDOYUHPOIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 111476136) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID111476136
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCCCC1CCO
InChIInChI=1S/C17H26N2O2/c1-14-6-2-3-8-16(14)18-17(21)9-12-19-11-5-4-7-15(19)10-13-20/h2-3,6,8,15,20H,4-5,7,9-13H2,1H3,(H,18,21)
InChIKeyMCGPZDOYUHPOIY-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111496368
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
CID 109032793
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 110921497

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide (CID 111476136) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is MCGPZDOYUHPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-6-2-3-8-16(14)18-17(21)9-12-19-11-5-4-7-15(19)10-13-20/h2-3,6,8,15,20H,4-5,7,9-13H2,1H3,(H,18,21).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 111476136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).