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

C16H25N3O2 — CID 16781307

IUPACN-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCCC1CCO
InChIInChI=1S/C16H25N3O2/c1-12-14(17)6-4-7-15(12)18-16(21)11-19-9-3-2-5-13(19)8-10-20/h4,6-7,13,20H,2-3,5,8-11,17H2,1H3,(H,18,21)
InChIKeyOORKIAXWLZIOOA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.75
Rot. Bonds5

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

N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 16781307) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID16781307
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCCC1CCO
InChIInChI=1S/C16H25N3O2/c1-12-14(17)6-4-7-15(12)18-16(21)11-19-9-3-2-5-13(19)8-10-20/h4,6-7,13,20H,2-3,5,8-11,17H2,1H3,(H,18,21)
InChIKeyOORKIAXWLZIOOA-UHFFFAOYSA-N
XLogP1.75
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690080
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 16781307) is N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is Cc1c(N)cccc1NC(=O)CN1CCCCC1CCO.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is OORKIAXWLZIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-14(17)6-4-7-15(12)18-16(21)11-19-9-3-2-5-13(19)8-10-20/h4,6-7,13,20H,2-3,5,8-11,17H2,1H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide?
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 16781307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).