5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C27H33NO4 — CID 108762584

About 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108762584) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 108762584
• Molecular Formula: C27H33NO4
• Molecular Weight: 435.56 g/mol
• Exact Mass: 435.24
• IUPAC Name: 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: Cc1cc(C)c2c(c1)OC1(CCN(C(=O)C(C)Oc3ccc(C(C)C)cc3)CC1)CC2=O
• InChI: InChI=1S/C27H33NO4/c1-17(2)21-6-8-22(9-7-21)31-20(5)26(30)28-12-10-27(11-13-28)16-23(29)25-19(4)14-18(3)15-24(25)32-27/h6-9,14-15,17,20H,10-13,16H2,1-5H3
• InChIKey: BNUKMHUYOYECOF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.56
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108762584) is 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)OC1(CCN(C(=O)C(C)Oc3ccc(C(C)C)cc3)CC1)CC2=O.

What is the InChIKey of 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is BNUKMHUYOYECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-17(2)21-6-8-22(9-7-21)31-20(5)26(30)28-12-10-27(11-13-28)16-23(29)25-19(4)14-18(3)15-24(25)32-27/h6-9,14-15,17,20H,10-13,16H2,1-5H3.

What are the key properties of 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 435.56 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108762584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).