1-butyl-4-phenylpiperidine-2,6-dione

C15H19NO2 — CID 58822038

IUPAC1-butyl-4-phenylpiperidine-2,6-dione
SMILESCCCCN1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C15H19NO2/c1-2-3-9-16-14(17)10-13(11-15(16)18)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyBDQKBLVEDLWSOU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.72
Rot. Bonds4

About 1-butyl-4-phenylpiperidine-2,6-dione

1-butyl-4-phenylpiperidine-2,6-dione (PubChem CID 58822038) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-butyl-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-butyl-4-phenylpiperidine-2,6-dione
PubChem CID58822038
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-butyl-4-phenylpiperidine-2,6-dione
SMILESCCCCN1C(=O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C15H19NO2/c1-2-3-9-16-14(17)10-13(11-15(16)18)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyBDQKBLVEDLWSOU-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phenylpiperidine-2,6-dione?
The IUPAC name of 1-butyl-4-phenylpiperidine-2,6-dione (CID 58822038) is 1-butyl-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-butyl-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-butyl-4-phenylpiperidine-2,6-dione is CCCCN1C(=O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 1-butyl-4-phenylpiperidine-2,6-dione?
The InChIKey is BDQKBLVEDLWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-9-16-14(17)10-13(11-15(16)18)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 1-butyl-4-phenylpiperidine-2,6-dione?
1-butyl-4-phenylpiperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 58822038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).