3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione

C10H15NO3 — CID 54564519

IUPAC3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione
SMILESO=C1C(=O)C(N2CCCCC2)CC1O
InChIInChI=1S/C10H15NO3/c12-8-6-7(9(13)10(8)14)11-4-2-1-3-5-11/h7-8,12H,1-6H2
InChIKeyZSWQOTXAVLVYGY-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.26
Rot. Bonds1

About 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione

3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione (PubChem CID 54564519) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione.

Molecular Properties

Compound Name3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione
PubChem CID54564519
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione
SMILESO=C1C(=O)C(N2CCCCC2)CC1O
InChIInChI=1S/C10H15NO3/c12-8-6-7(9(13)10(8)14)11-4-2-1-3-5-11/h7-8,12H,1-6H2
InChIKeyZSWQOTXAVLVYGY-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione?
The IUPAC name of 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione (CID 54564519) is 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione.
What is the SMILES notation for 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione?
The canonical SMILES for 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione is O=C1C(=O)C(N2CCCCC2)CC1O.
What is the InChIKey of 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione?
The InChIKey is ZSWQOTXAVLVYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-6-7(9(13)10(8)14)11-4-2-1-3-5-11/h7-8,12H,1-6H2.
What are the key properties of 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione?
3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione has a molecular weight of 197.23 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione is sourced from PubChem (CID 54564519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).