N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C20H25N3O2S — CID 131663503

About N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 131663503) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• PubChem CID: 131663503
• Molecular Formula: C20H25N3O2S
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.17
• IUPAC Name: N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• SMILES: CNC(=O)CC1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21
• InChI: InChI=1S/C20H25N3O2S/c1-21-18(24)12-15-13-20(25-17-5-3-2-4-16(15)17)6-9-23(10-7-20)14-19-22-8-11-26-19/h2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24)
• InChIKey: DCGKVQRGZSGXHZ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The IUPAC name of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 131663503) is N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

What is the SMILES notation for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The canonical SMILES for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CNC(=O)CC1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21.

What is the InChIKey of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The InChIKey is DCGKVQRGZSGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-21-18(24)12-15-13-20(25-17-5-3-2-4-16(15)17)6-9-23(10-7-20)14-19-22-8-11-26-19/h2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24).

What are the key properties of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 131663503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).