3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione

C15H20N2O3 — CID 164540943

IUPAC3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
SMILESNCCCCOc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H20N2O3/c16-8-1-2-9-20-12-5-3-4-11(10-12)13-6-7-14(18)17-15(13)19/h3-5,10,13H,1-2,6-9,16H2,(H,17,18,19)
InChIKeyQKVKKZZWDNUCMT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds6

About 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione

3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione (PubChem CID 164540943) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
PubChem CID164540943
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
SMILESNCCCCOc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H20N2O3/c16-8-1-2-9-20-12-5-3-4-11(10-12)13-6-7-14(18)17-15(13)19/h3-5,10,13H,1-2,6-9,16H2,(H,17,18,19)
InChIKeyQKVKKZZWDNUCMT-UHFFFAOYSA-N
XLogP1.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione (CID 164540943) is 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione is NCCCCOc1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione?
The InChIKey is QKVKKZZWDNUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-8-1-2-9-20-12-5-3-4-11(10-12)13-6-7-14(18)17-15(13)19/h3-5,10,13H,1-2,6-9,16H2,(H,17,18,19).
What are the key properties of 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione?
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 164540943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).