1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

C20H25N3O2 — CID 58199188

IUPAC1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCn1nccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C20H25N3O2/c1-22-18(7-10-21-22)15-5-6-19-16(13-15)14-24-20(25-19)8-11-23(12-9-20)17-3-2-4-17/h5-7,10,13,17H,2-4,8-9,11-12,14H2,1H3
InChIKeyZAMMKEDUGXQSPN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.34
Rot. Bonds2

About 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 58199188) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID58199188
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCn1nccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C20H25N3O2/c1-22-18(7-10-21-22)15-5-6-19-16(13-15)14-24-20(25-19)8-11-23(12-9-20)17-3-2-4-17/h5-7,10,13,17H,2-4,8-9,11-12,14H2,1H3
InChIKeyZAMMKEDUGXQSPN-UHFFFAOYSA-N
XLogP3.34
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 58199188) is 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is Cn1nccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is ZAMMKEDUGXQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-18(7-10-21-22)15-5-6-19-16(13-15)14-24-20(25-19)8-11-23(12-9-20)17-3-2-4-17/h5-7,10,13,17H,2-4,8-9,11-12,14H2,1H3.
What are the key properties of 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 339.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-(2-methylpyrazol-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 58199188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).