2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one

C20H28N6O2 — CID 70715847

IUPAC2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3
InChIKeyXXPZGFSQZIFDLK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 70715847) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID70715847
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3
InChIKeyXXPZGFSQZIFDLK-UHFFFAOYSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one 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-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one (CID 70715847) is 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XXPZGFSQZIFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70715847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).