1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

C22H25FN2O3 — CID 58199184

IUPAC1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCOc1cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(F)cn1
InChIInChI=1S/C22H25FN2O3/c1-26-21-12-18(19(23)13-24-21)15-5-6-20-16(11-15)14-27-22(28-20)7-9-25(10-8-22)17-3-2-4-17/h5-6,11-13,17H,2-4,7-10,14H2,1H3
InChIKeyLUNXZXBFWSNLDD-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.15
Rot. Bonds3

About 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 58199184) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
PubChem CID58199184
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]
SMILESCOc1cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(F)cn1
InChIInChI=1S/C22H25FN2O3/c1-26-21-12-18(19(23)13-24-21)15-5-6-20-16(11-15)14-27-22(28-20)7-9-25(10-8-22)17-3-2-4-17/h5-6,11-13,17H,2-4,7-10,14H2,1H3
InChIKeyLUNXZXBFWSNLDD-UHFFFAOYSA-N
XLogP4.15
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 58199184) is 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is COc1cc(-c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)c(F)cn1.
What is the InChIKey of 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
The InChIKey is LUNXZXBFWSNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-26-21-12-18(19(23)13-24-21)15-5-6-20-16(11-15)14-27-22(28-20)7-9-25(10-8-22)17-3-2-4-17/h5-6,11-13,17H,2-4,7-10,14H2,1H3.
What are the key properties of 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]?
1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 384.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-(5-fluoro-2-methoxy-4-pyridinyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 58199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).