4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C25H31N3O3 — CID 131656956

About 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 131656956) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
• PubChem CID: 131656956
• Molecular Formula: C25H31N3O3
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.24
• IUPAC Name: 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
• SMILES: Cc1cccc(NC(=O)N2CCC3(CC2)CC(CC(=O)N(C)C)c2ccccc2O3)c1
• InChI: InChI=1S/C25H31N3O3/c1-18-7-6-8-20(15-18)26-24(30)28-13-11-25(12-14-28)17-19(16-23(29)27(2)3)21-9-4-5-10-22(21)31-25/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,26,30)
• InChIKey: CAZVHRFHLSXOCL-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?

The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 131656956) is 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?

The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)CC(CC(=O)N(C)C)c2ccccc2O3)c1.

What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?

The InChIKey is CAZVHRFHLSXOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-7-6-8-20(15-18)26-24(30)28-13-11-25(12-14-28)17-19(16-23(29)27(2)3)21-9-4-5-10-22(21)31-25/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,26,30).

What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?

4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-methylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 131656956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).