6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C25H29N3O2 — CID 25060025

IUPAC6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C25H29N3O2/c1-29-24-18-23-22(19-26-28(23)21-10-6-3-7-11-21)25(30-24)13-16-27(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3
InChIKeyLPIQIFJZJAJRLD-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.95
Rot. Bonds5

About 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060025) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060025
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C25H29N3O2/c1-29-24-18-23-22(19-26-28(23)21-10-6-3-7-11-21)25(30-24)13-16-27(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3
InChIKeyLPIQIFJZJAJRLD-UHFFFAOYSA-N
XLogP3.95
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

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Related Compounds

1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060807
(3R)-3-(methoxymethyl)-2-methyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane
CID 97475640
(1R,3R)-1'-butyl-3-methoxyspiro[3,4-dihydroisochromene-1,3'-pyrrolidine]
CID 90713797
1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
1'-benzyl-3-ethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 11782688
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
4-methylidene-3-phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077245
1-[4-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]-1-yl)phenyl]ethanone
CID 56652225
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol
CID 92611588
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
1'-benzyl-3-methoxyspiro[3H-2-benzoxepine-1,4'-piperidine]
CID 11002181

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060025) is 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is LPIQIFJZJAJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-29-24-18-23-22(19-26-28(23)21-10-6-3-7-11-21)25(30-24)13-16-27(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3.
What are the key properties of 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 403.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).