2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

C16H25N3O — CID 79868364

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)15(8-11)18-16(20)10-19-7-6-14(17)13(3)9-19/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyFJSDBJBLLAZDSX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 79868364) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID79868364
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)15(8-11)18-16(20)10-19-7-6-14(17)13(3)9-19/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyFJSDBJBLLAZDSX-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 79868182
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
CID 97221010

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (CID 79868364) is 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2CCC(N)C(C)C2)c1.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is FJSDBJBLLAZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(2)15(8-11)18-16(20)10-19-7-6-14(17)13(3)9-19/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 79868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).