6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one

C24H29N3O3 — CID 90493450

About 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one

6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one (PubChem CID 90493450) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

• Compound Name: 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one
• PubChem CID: 90493450
• Molecular Formula: C24H29N3O3
• Molecular Weight: 407.51 g/mol
• Exact Mass: 407.22
• IUPAC Name: 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one
• SMILES: Cc1cc2oc(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)cc(=O)c2cc1C
• InChI: InChI=1S/C24H29N3O3/c1-15(2)23-25-7-10-27(23)14-18-5-8-26(9-6-18)24(29)22-13-20(28)19-11-16(3)17(4)12-21(19)30-22/h7,10-13,15,18H,5-6,8-9,14H2,1-4H3
• InChIKey: KMYATUBISSVGMX-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one?

The IUPAC name of 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one (CID 90493450) is 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one.

What is the SMILES notation for 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one?

The canonical SMILES for 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one is Cc1cc2oc(C(=O)N3CCC(Cn4ccnc4C(C)C)CC3)cc(=O)c2cc1C.

What is the InChIKey of 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one?

The InChIKey is KMYATUBISSVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)23-25-7-10-27(23)14-18-5-8-26(9-6-18)24(29)22-13-20(28)19-11-16(3)17(4)12-21(19)30-22/h7,10-13,15,18H,5-6,8-9,14H2,1-4H3.

What are the key properties of 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one?

6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one has a molecular weight of 407.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90493450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).