1-pentanoylpiperidine-3,5-dione

C10H15NO3 — CID 54271468

IUPAC1-pentanoylpiperidine-3,5-dione
SMILESCCCCC(=O)N1CC(=O)CC(=O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-10(14)11-6-8(12)5-9(13)7-11/h2-7H2,1H3
InChIKeyRKLAZPCWGRXVKE-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.55
Rot. Bonds3

About 1-pentanoylpiperidine-3,5-dione

1-pentanoylpiperidine-3,5-dione (PubChem CID 54271468) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-pentanoylpiperidine-3,5-dione.

Molecular Properties

Compound Name1-pentanoylpiperidine-3,5-dione
PubChem CID54271468
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-pentanoylpiperidine-3,5-dione
SMILESCCCCC(=O)N1CC(=O)CC(=O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-10(14)11-6-8(12)5-9(13)7-11/h2-7H2,1H3
InChIKeyRKLAZPCWGRXVKE-UHFFFAOYSA-N
XLogP0.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentanoylpiperidine-3,5-dione?
The IUPAC name of 1-pentanoylpiperidine-3,5-dione (CID 54271468) is 1-pentanoylpiperidine-3,5-dione.
What is the SMILES notation for 1-pentanoylpiperidine-3,5-dione?
The canonical SMILES for 1-pentanoylpiperidine-3,5-dione is CCCCC(=O)N1CC(=O)CC(=O)C1.
What is the InChIKey of 1-pentanoylpiperidine-3,5-dione?
The InChIKey is RKLAZPCWGRXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-10(14)11-6-8(12)5-9(13)7-11/h2-7H2,1H3.
What are the key properties of 1-pentanoylpiperidine-3,5-dione?
1-pentanoylpiperidine-3,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanoylpiperidine-3,5-dione is sourced from PubChem (CID 54271468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).