2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide

C14H21N3O — CID 62912486

IUPAC2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
SMILESCc1ccc(N2CCC(CC(N)=O)CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-2-3-12(9-13(10)15)17-6-4-11(5-7-17)8-14(16)18/h2-3,9,11H,4-8,15H2,1H3,(H2,16,18)
InChIKeyWIVKQJJXBPVHOH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.67
Rot. Bonds3

About 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide

2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide (PubChem CID 62912486) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
PubChem CID62912486
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
SMILESCc1ccc(N2CCC(CC(N)=O)CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-2-3-12(9-13(10)15)17-6-4-11(5-7-17)8-14(16)18/h2-3,9,11H,4-8,15H2,1H3,(H2,16,18)
InChIKeyWIVKQJJXBPVHOH-UHFFFAOYSA-N
XLogP1.67
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide (CID 62912486) is 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide is Cc1ccc(N2CCC(CC(N)=O)CC2)cc1N.
What is the InChIKey of 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide?
The InChIKey is WIVKQJJXBPVHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-2-3-12(9-13(10)15)17-6-4-11(5-7-17)8-14(16)18/h2-3,9,11H,4-8,15H2,1H3,(H2,16,18).
What are the key properties of 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide?
2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 62912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).