1-(3-hydroxypentan-2-yl)piperidine-2,6-dione

C10H17NO3 — CID 130893283

IUPAC1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
SMILESCCC(O)C(C)N1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(12)7(2)11-9(13)5-4-6-10(11)14/h7-8,12H,3-6H2,1-2H3
InChIKeyKPNCBWOZHLLZGE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.68
Rot. Bonds3

About 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione

1-(3-hydroxypentan-2-yl)piperidine-2,6-dione (PubChem CID 130893283) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
PubChem CID130893283
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
SMILESCCC(O)C(C)N1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(12)7(2)11-9(13)5-4-6-10(11)14/h7-8,12H,3-6H2,1-2H3
InChIKeyKPNCBWOZHLLZGE-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
4-(3,4-dihydroxybutan-2-yl)morpholine-3,5-dione
CID 164662166
1-pent-1-yn-3-ylazepane-2,7-dione
CID 106226536
1-(3-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 122537450
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
5-methylidene-1-pentan-3-ylpyrrolidin-2-one
CID 89100562
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
1-[(2R)-4-(trimethylsilylmethyl)pent-4-en-2-yl]piperidine-2,6-dione
CID 10880073
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione?
The IUPAC name of 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione (CID 130893283) is 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione is CCC(O)C(C)N1C(=O)CCCC1=O.
What is the InChIKey of 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione?
The InChIKey is KPNCBWOZHLLZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(12)7(2)11-9(13)5-4-6-10(11)14/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione?
1-(3-hydroxypentan-2-yl)piperidine-2,6-dione has a molecular weight of 199.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypentan-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 130893283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).