1-benzyl-4-methyl-3-propylpiperidine-2,6-dione

C16H21NO2 — CID 3708751

IUPAC1-benzyl-4-methyl-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)N(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C16H21NO2/c1-3-7-14-12(2)10-15(18)17(16(14)19)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3
InChIKeyULPFUSVHWSEKAW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds4

About 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione

1-benzyl-4-methyl-3-propylpiperidine-2,6-dione (PubChem CID 3708751) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-benzyl-4-methyl-3-propylpiperidine-2,6-dione
PubChem CID3708751
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-benzyl-4-methyl-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)N(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C16H21NO2/c1-3-7-14-12(2)10-15(18)17(16(14)19)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3
InChIKeyULPFUSVHWSEKAW-UHFFFAOYSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
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-benzyl-4-methyl-3-propylpiperidine-2,6-dione?
The IUPAC name of 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione (CID 3708751) is 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione?
The canonical SMILES for 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione is CCCC1C(=O)N(Cc2ccccc2)C(=O)CC1C.
What is the InChIKey of 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione?
The InChIKey is ULPFUSVHWSEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-7-14-12(2)10-15(18)17(16(14)19)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3.
What are the key properties of 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione?
1-benzyl-4-methyl-3-propylpiperidine-2,6-dione has a molecular weight of 259.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 3708751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).