5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

C10H20N2O2 — CID 107222956

IUPAC5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c11-6-2-1-5-10(14)12-7-3-4-9(13)8-12/h9,13H,1-8,11H2/t9-/m0/s1
InChIKeyOQMCJVSKNITTDZ-VIFPVBQESA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds4

About 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (PubChem CID 107222956) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
PubChem CID107222956
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESNCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c11-6-2-1-5-10(14)12-7-3-4-9(13)8-12/h9,13H,1-8,11H2/t9-/m0/s1
InChIKeyOQMCJVSKNITTDZ-VIFPVBQESA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-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

5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (CID 107222956) is 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is NCCCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is OQMCJVSKNITTDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c11-6-2-1-5-10(14)12-7-3-4-9(13)8-12/h9,13H,1-8,11H2/t9-/m0/s1.
What are the key properties of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 107222956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).