2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide

C23H30N2O3 — CID 97376424

About 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide

2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide (PubChem CID 97376424) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
• PubChem CID: 97376424
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21
• InChI: InChI=1S/C23H30N2O3/c1-17(2)24-22(26)14-18-15-23(28-21-8-4-3-7-20(18)21)9-11-25(12-10-23)16-19-6-5-13-27-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,24,26)/t18-/m1/s1
• InChIKey: SEGUSSCNIWUZNM-GOSISDBHSA-N
• XLogP: 4.10
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide (CID 97376424) is 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21.

What is the InChIKey of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide?

The InChIKey is SEGUSSCNIWUZNM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(2)24-22(26)14-18-15-23(28-21-8-4-3-7-20(18)21)9-11-25(12-10-23)16-19-6-5-13-27-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,24,26)/t18-/m1/s1.

What are the key properties of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide?

2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide has a molecular weight of 382.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 97376424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).