N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide

C16H25N3O — CID 62125474

IUPACN-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCC(C)C1C
InChIInChI=1S/C16H25N3O/c1-11-6-5-9-19(13(11)3)10-16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,11,13H,5-6,9-10,17H2,1-3H3,(H,18,20)
InChIKeyHNZFTDBZHNARDU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide

N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide (PubChem CID 62125474) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
PubChem CID62125474
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCC(C)C1C
InChIInChI=1S/C16H25N3O/c1-11-6-5-9-19(13(11)3)10-16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,11,13H,5-6,9-10,17H2,1-3H3,(H,18,20)
InChIKeyHNZFTDBZHNARDU-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125001
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 55078174
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide (CID 62125474) is N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide is Cc1c(N)cccc1NC(=O)CN1CCCC(C)C1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The InChIKey is HNZFTDBZHNARDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-5-9-19(13(11)3)10-16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,11,13H,5-6,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62125474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).