(5S)-5-amino-1-propan-2-ylpiperidin-2-one

C8H16N2O — CID 95241415

IUPAC(5S)-5-amino-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1C[C@@H](N)CCC1=O
InChIInChI=1S/C8H16N2O/c1-6(2)10-5-7(9)3-4-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyPYYGTGLZDNQCHV-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.34
Rot. Bonds1

About (5S)-5-amino-1-propan-2-ylpiperidin-2-one

(5S)-5-amino-1-propan-2-ylpiperidin-2-one (PubChem CID 95241415) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (5S)-5-amino-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-amino-1-propan-2-ylpiperidin-2-one
PubChem CID95241415
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(5S)-5-amino-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1C[C@@H](N)CCC1=O
InChIInChI=1S/C8H16N2O/c1-6(2)10-5-7(9)3-4-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyPYYGTGLZDNQCHV-ZETCQYMHSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-amino-1-propan-2-ylpiperidin-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

Related Compounds

(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-cyclopropylpropanamide
CID 99981545
(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide
CID 99981602
5-amino-1-methylpiperidin-2-one;methane
CID 178188727
5-amino-1-methylpiperidin-2-one;hydrochloride
CID 67228252
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
5-amino-1-oxidopiperidin-2-one
CID 87348703
5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 139598790
5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138807862
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one
CID 138383809
1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 138381321
(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
CID 97182050

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (5S)-5-amino-1-propan-2-ylpiperidin-2-one (CID 95241415) is (5S)-5-amino-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (5S)-5-amino-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (5S)-5-amino-1-propan-2-ylpiperidin-2-one is CC(C)N1C[C@@H](N)CCC1=O.
What is the InChIKey of (5S)-5-amino-1-propan-2-ylpiperidin-2-one?
The InChIKey is PYYGTGLZDNQCHV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)10-5-7(9)3-4-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-amino-1-propan-2-ylpiperidin-2-one?
(5S)-5-amino-1-propan-2-ylpiperidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 95241415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).