1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C23H25N3O — CID 25060807

IUPAC1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2
InChIKeyNYXCZORNZSTDPI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.94
Rot. Bonds3

About 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060807) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060807
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2
InChIKeyNYXCZORNZSTDPI-UHFFFAOYSA-N
XLogP3.94
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

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Related Compounds

1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
1'-(cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
6-methoxy-1-phenyl-1'-(2-phenylethyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060025
1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one
CID 170172777
1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
CID 68902320
1'-[2-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 67019498
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-phenyl-4-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
CID 25059503
1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
CID 82187880
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060807) is 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1.
What is the InChIKey of 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is NYXCZORNZSTDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2.
What are the key properties of 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 359.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).