[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone

C18H28N4O3 — CID 92636278

IUPAC[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCOCCN1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1
InChIInChI=1S/C18H28N4O3/c1-14-16(18(23)22-8-11-25-12-9-22)13-19-17(20-14)15-3-5-21(6-4-15)7-10-24-2/h13,15H,3-12H2,1-2H3
InChIKeyNAAVCJJRERGAHB-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.08
Rot. Bonds5

About [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone

[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 92636278) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID92636278
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCOCCN1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1
InChIInChI=1S/C18H28N4O3/c1-14-16(18(23)22-8-11-25-12-9-22)13-19-17(20-14)15-3-5-21(6-4-15)7-10-24-2/h13,15H,3-12H2,1-2H3
InChIKeyNAAVCJJRERGAHB-UHFFFAOYSA-N
XLogP1.08
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone 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 [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone (CID 92636278) is [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone is COCCN1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1.
What is the InChIKey of [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is NAAVCJJRERGAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14-16(18(23)22-8-11-25-12-9-22)13-19-17(20-14)15-3-5-21(6-4-15)7-10-24-2/h13,15H,3-12H2,1-2H3.
What are the key properties of [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92636278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).