1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C20H29N5O — CID 70742561

About 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 70742561) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
• PubChem CID: 70742561
• Molecular Formula: C20H29N5O
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.24
• IUPAC Name: 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
• SMILES: Cc1cccnc1CN1CCN(C(=O)C(C)n2ccnc2C(C)C)CC1
• InChI: InChI=1S/C20H29N5O/c1-15(2)19-22-8-9-25(19)17(4)20(26)24-12-10-23(11-13-24)14-18-16(3)6-5-7-21-18/h5-9,15,17H,10-14H2,1-4H3
• InChIKey: COMXPVHSDPZABD-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?

The IUPAC name of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 70742561) is 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?

The canonical SMILES for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is Cc1cccnc1CN1CCN(C(=O)C(C)n2ccnc2C(C)C)CC1.

What is the InChIKey of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?

The InChIKey is COMXPVHSDPZABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15(2)19-22-8-9-25(19)17(4)20(26)24-12-10-23(11-13-24)14-18-16(3)6-5-7-21-18/h5-9,15,17H,10-14H2,1-4H3.

What are the key properties of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?

1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 70742561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).