1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C20H27N3O — CID 25061063

IUPAC1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-22-19-9-15-24-20(18(19)16-21-22)10-13-23(14-11-20)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3
InChIKeyWUCUMYRTPVDQAQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.92
Rot. Bonds4

About 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25061063) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25061063
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C20H27N3O/c1-22-19-9-15-24-20(18(19)16-21-22)10-13-23(14-11-20)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3
InChIKeyWUCUMYRTPVDQAQ-UHFFFAOYSA-N
XLogP2.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

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Related Compounds

Cizolirtine
CID 132412
1'-(Cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
6-Methoxy-1'-pentyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060020
6-Methoxy-1'-(3-methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060021
1'-(Cyclohexylmethyl)-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060024
1'-[(4-Fluorophenyl)methyl]-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060290
1'-(3-Methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060809
1-Phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060811
(6R)-6-methoxy-1-phenyl-1'-propan-2-ylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 49798699
1'-(3-Methylbut-3-enyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 54758206
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25059766
6-Methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25059767

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25061063) is 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is Cn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is WUCUMYRTPVDQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22-19-9-15-24-20(18(19)16-21-22)10-13-23(14-11-20)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3.
What are the key properties of 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 325.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25061063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).