3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one

C13H19N3O2 — CID 97181081

IUPAC3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one
SMILESC[C@@H](C(=O)N1CCCCC1)n1cccc(N)c1=O
InChIInChI=1S/C13H19N3O2/c1-10(12(17)15-7-3-2-4-8-15)16-9-5-6-11(14)13(16)18/h5-6,9-10H,2-4,7-8,14H2,1H3/t10-/m0/s1
InChIKeyWLMMGZCNLORHBE-JTQLQIEISA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds2

About 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one

3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one (PubChem CID 97181081) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one
PubChem CID97181081
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one
SMILESC[C@@H](C(=O)N1CCCCC1)n1cccc(N)c1=O
InChIInChI=1S/C13H19N3O2/c1-10(12(17)15-7-3-2-4-8-15)16-9-5-6-11(14)13(16)18/h5-6,9-10H,2-4,7-8,14H2,1H3/t10-/m0/s1
InChIKeyWLMMGZCNLORHBE-JTQLQIEISA-N
XLogP1.00
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 140971156
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003
1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate
CID 174390242
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 103475166
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrole-2-carbothioamide
CID 114653770
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one (CID 97181081) is 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one is C[C@@H](C(=O)N1CCCCC1)n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one?
The InChIKey is WLMMGZCNLORHBE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(12(17)15-7-3-2-4-8-15)16-9-5-6-11(14)13(16)18/h5-6,9-10H,2-4,7-8,14H2,1H3/t10-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one?
3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one is sourced from PubChem (CID 97181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).