3-amino-3-methylpiperidin-2-one

C6H12N2O — CID 10975503

IUPAC3-amino-3-methylpiperidin-2-one
SMILESCC1(N)CCCNC1=O
InChIInChI=1S/C6H12N2O/c1-6(7)3-2-4-8-5(6)9/h2-4,7H2,1H3,(H,8,9)
InChIKeyZGVJSCUBUTWDFS-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.39
Rot. Bonds

About 3-amino-3-methylpiperidin-2-one

3-amino-3-methylpiperidin-2-one (PubChem CID 10975503) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-amino-3-methylpiperidin-2-one.

Molecular Properties

Compound Name3-amino-3-methylpiperidin-2-one
PubChem CID10975503
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-amino-3-methylpiperidin-2-one
SMILESCC1(N)CCCNC1=O
InChIInChI=1S/C6H12N2O/c1-6(7)3-2-4-8-5(6)9/h2-4,7H2,1H3,(H,8,9)
InChIKeyZGVJSCUBUTWDFS-UHFFFAOYSA-N
XLogP-0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylpiperidin-2-one?
The IUPAC name of 3-amino-3-methylpiperidin-2-one (CID 10975503) is 3-amino-3-methylpiperidin-2-one.
What is the SMILES notation for 3-amino-3-methylpiperidin-2-one?
The canonical SMILES for 3-amino-3-methylpiperidin-2-one is CC1(N)CCCNC1=O.
What is the InChIKey of 3-amino-3-methylpiperidin-2-one?
The InChIKey is ZGVJSCUBUTWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(7)3-2-4-8-5(6)9/h2-4,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-3-methylpiperidin-2-one?
3-amino-3-methylpiperidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylpiperidin-2-one is sourced from PubChem (CID 10975503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).