1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide

C25H27N3O4 — CID 24598690

About 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide (PubChem CID 24598690) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
• PubChem CID: 24598690
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.20
• IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(c2nc3ccccc3o2)CC1
• InChI: InChI=1S/C25H27N3O4/c29-23(17-10-14-28(15-11-17)24-27-19-6-2-3-7-20(19)30-24)26-18-8-9-21-22(16-18)32-25(31-21)12-4-1-5-13-25/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,29)
• InChIKey: ILMJXMUKXUCWJW-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide?

The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide (CID 24598690) is 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(c2nc3ccccc3o2)CC1.

What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide?

The InChIKey is ILMJXMUKXUCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-23(17-10-14-28(15-11-17)24-27-19-6-2-3-7-20(19)30-24)26-18-8-9-21-22(16-18)32-25(31-21)12-4-1-5-13-25/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,29).

What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide?

1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide is sourced from PubChem (CID 24598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).