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

C9H15NO2 — CID 25246664

IUPAC4-methyl-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C9H15NO2/c1-3-4-10-8(11)5-7(2)6-9(10)12/h7H,3-6H2,1-2H3
InChIKeyTUWBGQYCLCJYSD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.18
Rot. Bonds2

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

4-methyl-1-propylpiperidine-2,6-dione (PubChem CID 25246664) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-1-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-propylpiperidine-2,6-dione
PubChem CID25246664
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C9H15NO2/c1-3-4-10-8(11)5-7(2)6-9(10)12/h7H,3-6H2,1-2H3
InChIKeyTUWBGQYCLCJYSD-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.18
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 4-methyl-1-propylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-1-propylpiperidine-2,6-dione (CID 25246664) is 4-methyl-1-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-propylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-propylpiperidine-2,6-dione is CCCN1C(=O)CC(C)CC1=O.
What is the InChIKey of 4-methyl-1-propylpiperidine-2,6-dione?
The InChIKey is TUWBGQYCLCJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-10-8(11)5-7(2)6-9(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-propylpiperidine-2,6-dione?
4-methyl-1-propylpiperidine-2,6-dione has a molecular weight of 169.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylpiperidine-2,6-dione is sourced from PubChem (CID 25246664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).