1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide

C16H36N2O2 — CID 145076946

IUPAC1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide
SMILESCC.CC.CC1CCN(C)CC1.CNC(=O)CCC=O
InChIInChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-6-5(8)3-2-4-7;2*1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3,(H,6,8);2*1-2H3
InChIKeyDEWBADRINOCGAP-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.11
Rot. Bonds3

About 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide

1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide (PubChem CID 145076946) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide
PubChem CID145076946
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide
SMILESCC.CC.CC1CCN(C)CC1.CNC(=O)CCC=O
InChIInChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-6-5(8)3-2-4-7;2*1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3,(H,6,8);2*1-2H3
InChIKeyDEWBADRINOCGAP-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide?
The IUPAC name of 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide (CID 145076946) is 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide.
What is the SMILES notation for 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide?
The canonical SMILES for 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide is CC.CC.CC1CCN(C)CC1.CNC(=O)CCC=O.
What is the InChIKey of 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide?
The InChIKey is DEWBADRINOCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-6-5(8)3-2-4-7;2*1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3,(H,6,8);2*1-2H3.
What are the key properties of 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide?
1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide has a molecular weight of 288.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide is sourced from PubChem (CID 145076946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).