1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

C18H30N4O3 — CID 43817674

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1
InChIInChI=1S/C18H30N4O3/c1-4-24-12-6-9-19-17(23)15-7-10-22(11-8-15)18-20-14(3)13-16(21-18)25-5-2/h13,15H,4-12H2,1-3H3,(H,19,23)
InChIKeyUGIRKWZIHHPOPH-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.94
Rot. Bonds9

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 43817674) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID43817674
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1
InChIInChI=1S/C18H30N4O3/c1-4-24-12-6-9-19-17(23)15-7-10-22(11-8-15)18-20-14(3)13-16(21-18)25-5-2/h13,15H,4-12H2,1-3H3,(H,19,23)
InChIKeyUGIRKWZIHHPOPH-UHFFFAOYSA-N
XLogP1.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxy-6-methylpyrimidin-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-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 43817674) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nc(C)cc(OCC)n2)CC1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is UGIRKWZIHHPOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-24-12-6-9-19-17(23)15-7-10-22(11-8-15)18-20-14(3)13-16(21-18)25-5-2/h13,15H,4-12H2,1-3H3,(H,19,23).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 43817674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).