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

C16H21NO3 — CID 3125332

IUPAC3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-2-3-10-20-14-7-4-12(5-8-14)11-13-6-9-15(18)17-16(13)19/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,17,18,19)
InChIKeyPHUJDAVPFVXMOP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.46
Rot. Bonds6

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

3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 3125332) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID3125332
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-2-3-10-20-14-7-4-12(5-8-14)11-13-6-9-15(18)17-16(13)19/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,17,18,19)
InChIKeyPHUJDAVPFVXMOP-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.46
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 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione (CID 3125332) is 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione is CCCCOc1ccc(CC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is PHUJDAVPFVXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-10-20-14-7-4-12(5-8-14)11-13-6-9-15(18)17-16(13)19/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,17,18,19).
What are the key properties of 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione?
3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 3125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).