3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione

C15H19NO3 — CID 5096405

IUPAC3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-2-9-19-13-6-3-11(4-7-13)10-12-5-8-14(17)16-15(12)18/h3-4,6-7,12H,2,5,8-10H2,1H3,(H,16,17,18)
InChIKeyKWUVWHJFWBPGOJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds5

About 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione

3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 5096405) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID5096405
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-2-9-19-13-6-3-11(4-7-13)10-12-5-8-14(17)16-15(12)18/h3-4,6-7,12H,2,5,8-10H2,1H3,(H,16,17,18)
InChIKeyKWUVWHJFWBPGOJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione (CID 5096405) is 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione is CCCOc1ccc(CC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is KWUVWHJFWBPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-9-19-13-6-3-11(4-7-13)10-12-5-8-14(17)16-15(12)18/h3-4,6-7,12H,2,5,8-10H2,1H3,(H,16,17,18).
What are the key properties of 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione?
3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 5096405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).