4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione

C14H25NO2 — CID 79318435

IUPAC4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1(C)CCC(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-11-13(17)15-12(16)9-14(11,4)8-7-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyCXJDITCVLDPQQG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds5

About 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione

4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione (PubChem CID 79318435) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
PubChem CID79318435
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1(C)CCC(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-11-13(17)15-12(16)9-14(11,4)8-7-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyCXJDITCVLDPQQG-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione (CID 79318435) is 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1(C)CCC(C)C.
What is the InChIKey of 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione?
The InChIKey is CXJDITCVLDPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-11-13(17)15-12(16)9-14(11,4)8-7-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione?
4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione has a molecular weight of 239.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 79318435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).