3-aminopiperidin-2-one

C5H10N2O — CID 5200225

IUPAC3-aminopiperidin-2-one
SMILESNC1CCCNC1=O
InChIInChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKeyYCCMTCQQDULIFE-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.78
Rot. Bonds

About 3-aminopiperidin-2-one

3-aminopiperidin-2-one (PubChem CID 5200225) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-aminopiperidin-2-one.

Molecular Properties

Compound Name3-aminopiperidin-2-one
PubChem CID5200225
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-aminopiperidin-2-one
SMILESNC1CCCNC1=O
InChIInChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKeyYCCMTCQQDULIFE-UHFFFAOYSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-aminopiperidin-2-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 3-aminopiperidin-2-one?
The IUPAC name of 3-aminopiperidin-2-one (CID 5200225) is 3-aminopiperidin-2-one.
What is the SMILES notation for 3-aminopiperidin-2-one?
The canonical SMILES for 3-aminopiperidin-2-one is NC1CCCNC1=O.
What is the InChIKey of 3-aminopiperidin-2-one?
The InChIKey is YCCMTCQQDULIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8).
What are the key properties of 3-aminopiperidin-2-one?
3-aminopiperidin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopiperidin-2-one is sourced from PubChem (CID 5200225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).