1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide

C13H24N2O3S — CID 45182901

IUPAC1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCCSC)CCC1=O
InChIInChI=1S/C13H24N2O3S/c1-18-8-7-15-10-11(4-5-12(15)16)13(17)14-6-3-9-19-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyLMVBDHGGETZUIU-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.74
Rot. Bonds8

About 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide

1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45182901) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID45182901
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCCSC)CCC1=O
InChIInChI=1S/C13H24N2O3S/c1-18-8-7-15-10-11(4-5-12(15)16)13(17)14-6-3-9-19-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyLMVBDHGGETZUIU-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide 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-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide (CID 45182901) is 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)NCCCSC)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LMVBDHGGETZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-18-8-7-15-10-11(4-5-12(15)16)13(17)14-6-3-9-19-2/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide?
1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3-methylsulfanylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).