2-(3-amino-1-methylpiperidin-3-yl)acetamide

C8H17N3O — CID 83682898

IUPAC2-(3-amino-1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(N)(CC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-11-4-2-3-8(10,6-11)5-7(9)12/h2-6,10H2,1H3,(H2,9,12)
InChIKeyOXCDFSLDBWYRQH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.72
Rot. Bonds2

About 2-(3-amino-1-methylpiperidin-3-yl)acetamide

2-(3-amino-1-methylpiperidin-3-yl)acetamide (PubChem CID 83682898) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-amino-1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1-methylpiperidin-3-yl)acetamide
PubChem CID83682898
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(3-amino-1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(N)(CC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-11-4-2-3-8(10,6-11)5-7(9)12/h2-6,10H2,1H3,(H2,9,12)
InChIKeyOXCDFSLDBWYRQH-UHFFFAOYSA-N
XLogP-0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1-methylpiperidin-3-yl)acetamide (CID 83682898) is 2-(3-amino-1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1-methylpiperidin-3-yl)acetamide is CN1CCCC(N)(CC(N)=O)C1.
What is the InChIKey of 2-(3-amino-1-methylpiperidin-3-yl)acetamide?
The InChIKey is OXCDFSLDBWYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11-4-2-3-8(10,6-11)5-7(9)12/h2-6,10H2,1H3,(H2,9,12).
What are the key properties of 2-(3-amino-1-methylpiperidin-3-yl)acetamide?
2-(3-amino-1-methylpiperidin-3-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 83682898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).