1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide

C24H30N6O2 — CID 78901703

About 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 78901703) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide
• PubChem CID: 78901703
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide
• SMILES: COc1ccnc(N2CCC(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)CC2)n1
• InChI: InChI=1S/C24H30N6O2/c1-17(2)22-25-11-14-30(22)16-18-5-4-6-20(15-18)27-23(31)19-8-12-29(13-9-19)24-26-10-7-21(28-24)32-3/h4-7,10-11,14-15,17,19H,8-9,12-13,16H2,1-3H3,(H,27,31)
• InChIKey: AMDAUSBHKXFDAW-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide (CID 78901703) is 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)CC2)n1.

What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide?

The InChIKey is AMDAUSBHKXFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(2)22-25-11-14-30(22)16-18-5-4-6-20(15-18)27-23(31)19-8-12-29(13-9-19)24-26-10-7-21(28-24)32-3/h4-7,10-11,14-15,17,19H,8-9,12-13,16H2,1-3H3,(H,27,31).

What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide?

1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 78901703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).