1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

C17H28N4O2 — CID 86792034

IUPAC1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H28N4O2/c1-4-23-11-5-8-18-17(22)15-6-9-21(10-7-15)16-14(3)19-12-13(2)20-16/h12,15H,4-11H2,1-3H3,(H,18,22)
InChIKeyLMEUOSRLFDDSNR-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.85
Rot. Bonds7

About 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 86792034) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID86792034
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H28N4O2/c1-4-23-11-5-8-18-17(22)15-6-9-21(10-7-15)16-14(3)19-12-13(2)20-16/h12,15H,4-11H2,1-3H3,(H,18,22)
InChIKeyLMEUOSRLFDDSNR-UHFFFAOYSA-N
XLogP1.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-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-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 86792034) is 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is LMEUOSRLFDDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-23-11-5-8-18-17(22)15-6-9-21(10-7-15)16-14(3)19-12-13(2)20-16/h12,15H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 86792034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).