4-aminopiperidin-3-one

C5H10N2O — CID 22260291

IUPAC4-aminopiperidin-3-one
SMILESNC1CCNCC1=O
InChIInChI=1S/C5H10N2O/c6-4-1-2-7-3-5(4)8/h4,7H,1-3,6H2
InChIKeyJGGMKTYDYPWGID-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.12
Rot. Bonds

About 4-aminopiperidin-3-one

4-aminopiperidin-3-one (PubChem CID 22260291) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-aminopiperidin-3-one.

Molecular Properties

Compound Name4-aminopiperidin-3-one
PubChem CID22260291
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-aminopiperidin-3-one
SMILESNC1CCNCC1=O
InChIInChI=1S/C5H10N2O/c6-4-1-2-7-3-5(4)8/h4,7H,1-3,6H2
InChIKeyJGGMKTYDYPWGID-UHFFFAOYSA-N
XLogP-1.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidin-3-one?
The IUPAC name of 4-aminopiperidin-3-one (CID 22260291) is 4-aminopiperidin-3-one.
What is the SMILES notation for 4-aminopiperidin-3-one?
The canonical SMILES for 4-aminopiperidin-3-one is NC1CCNCC1=O.
What is the InChIKey of 4-aminopiperidin-3-one?
The InChIKey is JGGMKTYDYPWGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-4-1-2-7-3-5(4)8/h4,7H,1-3,6H2.
What are the key properties of 4-aminopiperidin-3-one?
4-aminopiperidin-3-one has a molecular weight of 114.15 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidin-3-one is sourced from PubChem (CID 22260291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).