N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide

C16H24N2O2 — CID 103898054

IUPACN-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)C(O)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-14(13(11)3)17-16(20)10-18-8-7-12(2)15(19)9-18/h4-6,12,15,19H,7-10H2,1-3H3,(H,17,20)
InChIKeyCMWPSVOBSRTHNG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide (PubChem CID 103898054) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
PubChem CID103898054
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)C(O)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-14(13(11)3)17-16(20)10-18-8-7-12(2)15(19)9-18/h4-6,12,15,19H,7-10H2,1-3H3,(H,17,20)
InChIKeyCMWPSVOBSRTHNG-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 103898494
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 11940393
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide (CID 103898054) is N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCC(C)C(O)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The InChIKey is CMWPSVOBSRTHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-6-14(13(11)3)17-16(20)10-18-8-7-12(2)15(19)9-18/h4-6,12,15,19H,7-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 103898054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).