2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

C16H22N6O2 — CID 118191272

IUPAC2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCOc1cc(N2CCC(N(C)C(=O)Cn3ccnc3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-20(16(23)10-21-8-5-17-12-21)13-3-6-22(7-4-13)14-9-15(24-2)19-11-18-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3
InChIKeySRHCCLAVXHEFDM-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds5

About 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (PubChem CID 118191272) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
PubChem CID118191272
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCOc1cc(N2CCC(N(C)C(=O)Cn3ccnc3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-20(16(23)10-21-8-5-17-12-21)13-3-6-22(7-4-13)14-9-15(24-2)19-11-18-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3
InChIKeySRHCCLAVXHEFDM-UHFFFAOYSA-N
XLogP0.81
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide 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-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (CID 118191272) is 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is COc1cc(N2CCC(N(C)C(=O)Cn3ccnc3)CC2)ncn1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is SRHCCLAVXHEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(16(23)10-21-8-5-17-12-21)13-3-6-22(7-4-13)14-9-15(24-2)19-11-18-14/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 330.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 118191272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).