6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C26H28ClNO6 — CID 108750325

About 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108750325) has the molecular formula C26H28ClNO6 and a molecular weight of 485.96 g/mol. Its IUPAC name is 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 108750325
• Molecular Formula: C26H28ClNO6
• Molecular Weight: 485.96 g/mol
• Exact Mass: 485.16
• IUPAC Name: 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: COc1cc(/C=C/C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(C)c2O3)cc(OC)c1OC
• InChI: InChI=1S/C26H28ClNO6/c1-16-11-18(27)14-19-20(29)15-26(34-24(16)19)7-9-28(10-8-26)23(30)6-5-17-12-21(31-2)25(33-4)22(13-17)32-3/h5-6,11-14H,7-10,15H2,1-4H3/b6-5+
• InChIKey: RNEFCONIHRWYRE-AATRIKPKSA-N
• XLogP: 4.71
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.96
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108750325) is 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(/C=C/C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(C)c2O3)cc(OC)c1OC.

What is the InChIKey of 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is RNEFCONIHRWYRE-AATRIKPKSA-N. The full InChI is InChI=1S/C26H28ClNO6/c1-16-11-18(27)14-19-20(29)15-26(34-24(16)19)7-9-28(10-8-26)23(30)6-5-17-12-21(31-2)25(33-4)22(13-17)32-3/h5-6,11-14H,7-10,15H2,1-4H3/b6-5+.

What are the key properties of 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?

6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 485.96 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-methyl-1'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108750325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).