1-(4-aminobutyl)piperidine-2,6-dione

C9H16N2O2 — CID 43447549

IUPAC1-(4-aminobutyl)piperidine-2,6-dione
SMILESNCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C9H16N2O2/c10-6-1-2-7-11-8(12)4-3-5-9(11)13/h1-7,10H2
InChIKeyLPBNSYMDMBOVJF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.26
Rot. Bonds4

About 1-(4-aminobutyl)piperidine-2,6-dione

1-(4-aminobutyl)piperidine-2,6-dione (PubChem CID 43447549) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-aminobutyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-aminobutyl)piperidine-2,6-dione
PubChem CID43447549
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(4-aminobutyl)piperidine-2,6-dione
SMILESNCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C9H16N2O2/c10-6-1-2-7-11-8(12)4-3-5-9(11)13/h1-7,10H2
InChIKeyLPBNSYMDMBOVJF-UHFFFAOYSA-N
XLogP0.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-aminobutyl)piperidine-2,6-dione (CID 43447549) is 1-(4-aminobutyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-aminobutyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-aminobutyl)piperidine-2,6-dione is NCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(4-aminobutyl)piperidine-2,6-dione?
The InChIKey is LPBNSYMDMBOVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-1-2-7-11-8(12)4-3-5-9(11)13/h1-7,10H2.
What are the key properties of 1-(4-aminobutyl)piperidine-2,6-dione?
1-(4-aminobutyl)piperidine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)piperidine-2,6-dione is sourced from PubChem (CID 43447549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).