4-methyl-3,4-dipropylpiperidine-2,6-dione

C12H21NO2 — CID 79317576

IUPAC4-methyl-3,4-dipropylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1(C)CCC
InChIInChI=1S/C12H21NO2/c1-4-6-9-11(15)13-10(14)8-12(9,3)7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyAMBUAIOHPSWFBB-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-3,4-dipropylpiperidine-2,6-dione

4-methyl-3,4-dipropylpiperidine-2,6-dione (PubChem CID 79317576) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-methyl-3,4-dipropylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3,4-dipropylpiperidine-2,6-dione
PubChem CID79317576
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-methyl-3,4-dipropylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1(C)CCC
InChIInChI=1S/C12H21NO2/c1-4-6-9-11(15)13-10(14)8-12(9,3)7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyAMBUAIOHPSWFBB-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.26
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-3,4-dipropylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-3,4-dipropylpiperidine-2,6-dione (CID 79317576) is 4-methyl-3,4-dipropylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-3,4-dipropylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-3,4-dipropylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1(C)CCC.
What is the InChIKey of 4-methyl-3,4-dipropylpiperidine-2,6-dione?
The InChIKey is AMBUAIOHPSWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-6-9-11(15)13-10(14)8-12(9,3)7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methyl-3,4-dipropylpiperidine-2,6-dione?
4-methyl-3,4-dipropylpiperidine-2,6-dione has a molecular weight of 211.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dipropylpiperidine-2,6-dione is sourced from PubChem (CID 79317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).