8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C20H27FN4 — CID 97493620

IUPAC8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2ccccc2F)CC3)n1
InChIInChI=1S/C20H27FN4/c1-23-12-7-18(22-23)16-25-11-4-8-20(25)9-13-24(14-10-20)15-17-5-2-3-6-19(17)21/h2-3,5-7,12H,4,8-11,13-16H2,1H3
InChIKeyLPCOROOEINNEMD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.19
Rot. Bonds4

About 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97493620) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97493620
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2ccccc2F)CC3)n1
InChIInChI=1S/C20H27FN4/c1-23-12-7-18(22-23)16-25-11-4-8-20(25)9-13-24(14-10-20)15-17-5-2-3-6-19(17)21/h2-3,5-7,12H,4,8-11,13-16H2,1H3
InChIKeyLPCOROOEINNEMD-UHFFFAOYSA-N
XLogP3.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97493620) is 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccc(CN2CCCC23CCN(Cc2ccccc2F)CC3)n1.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is LPCOROOEINNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-23-12-7-18(22-23)16-25-11-4-8-20(25)9-13-24(14-10-20)15-17-5-2-3-6-19(17)21/h2-3,5-7,12H,4,8-11,13-16H2,1H3.
What are the key properties of 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 342.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).