1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione

C22H29N3O2 — CID 90492814

About 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione

1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione (PubChem CID 90492814) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
• PubChem CID: 90492814
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
• SMILES: CC(C)c1nccn1CC1CCN(C(=O)CCC(=O)c2ccccc2)CC1
• InChI: InChI=1S/C22H29N3O2/c1-17(2)22-23-12-15-25(22)16-18-10-13-24(14-11-18)21(27)9-8-20(26)19-6-4-3-5-7-19/h3-7,12,15,17-18H,8-11,13-14,16H2,1-2H3
• InChIKey: IDSASQZFFZSQSO-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione?

The IUPAC name of 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione (CID 90492814) is 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione.

What is the SMILES notation for 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione?

The canonical SMILES for 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione is CC(C)c1nccn1CC1CCN(C(=O)CCC(=O)c2ccccc2)CC1.

What is the InChIKey of 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione?

The InChIKey is IDSASQZFFZSQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)22-23-12-15-25(22)16-18-10-13-24(14-11-18)21(27)9-8-20(26)19-6-4-3-5-7-19/h3-7,12,15,17-18H,8-11,13-14,16H2,1-2H3.

What are the key properties of 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione?

1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione has a molecular weight of 367.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 90492814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).