1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C24H33N3O2 — CID 25060024

About 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060024) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

• Compound Name: 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
• PubChem CID: 25060024
• Molecular Formula: C24H33N3O2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.26
• IUPAC Name: 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
• SMILES: COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
• InChI: InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3
• InChIKey: VXFHKYALKRURJZ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 39.52 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?

The IUPAC name of 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060024) is 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

What is the SMILES notation for 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?

The canonical SMILES for 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1.

What is the InChIKey of 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?

The InChIKey is VXFHKYALKRURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3.

What are the key properties of 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?

1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 395.55 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).