5-(3-phenylmethoxypropyl)piperidine-2,4-dione

C15H19NO3 — CID 69075313

IUPAC5-(3-phenylmethoxypropyl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(CCCOCc2ccccc2)CN1
InChIInChI=1S/C15H19NO3/c17-14-9-15(18)16-10-13(14)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)
InChIKeyRWFMRRXBNABJHO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.69
Rot. Bonds6

About 5-(3-phenylmethoxypropyl)piperidine-2,4-dione

5-(3-phenylmethoxypropyl)piperidine-2,4-dione (PubChem CID 69075313) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(3-phenylmethoxypropyl)piperidine-2,4-dione.

Molecular Properties

Compound Name5-(3-phenylmethoxypropyl)piperidine-2,4-dione
PubChem CID69075313
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-(3-phenylmethoxypropyl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(CCCOCc2ccccc2)CN1
InChIInChI=1S/C15H19NO3/c17-14-9-15(18)16-10-13(14)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)
InChIKeyRWFMRRXBNABJHO-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
4-(phenylmethoxymethyl)pyrrolidin-2-one
CID 105457555
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
CID 136908341
CID 136908341
4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 132584785
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxypropyl)piperidine-2,4-dione?
The IUPAC name of 5-(3-phenylmethoxypropyl)piperidine-2,4-dione (CID 69075313) is 5-(3-phenylmethoxypropyl)piperidine-2,4-dione.
What is the SMILES notation for 5-(3-phenylmethoxypropyl)piperidine-2,4-dione?
The canonical SMILES for 5-(3-phenylmethoxypropyl)piperidine-2,4-dione is O=C1CC(=O)C(CCCOCc2ccccc2)CN1.
What is the InChIKey of 5-(3-phenylmethoxypropyl)piperidine-2,4-dione?
The InChIKey is RWFMRRXBNABJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14-9-15(18)16-10-13(14)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18).
What are the key properties of 5-(3-phenylmethoxypropyl)piperidine-2,4-dione?
5-(3-phenylmethoxypropyl)piperidine-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxypropyl)piperidine-2,4-dione is sourced from PubChem (CID 69075313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).