1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one

C11H20N2O — CID 126658163

IUPAC1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESC=C(N)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H20N2O/c1-8(2)11(14)13-6-4-5-10(7-13)9(3)12/h8,10H,3-7,12H2,1-2H3
InChIKeyHCIDHYBRNOGFRX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds2

About 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one

1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 126658163) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID126658163
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESC=C(N)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H20N2O/c1-8(2)11(14)13-6-4-5-10(7-13)9(3)12/h8,10H,3-7,12H2,1-2H3
InChIKeyHCIDHYBRNOGFRX-UHFFFAOYSA-N
XLogP1.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one (CID 126658163) is 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one is C=C(N)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is HCIDHYBRNOGFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)11(14)13-6-4-5-10(7-13)9(3)12/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethenyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 126658163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).