N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

C16H23FN2O2 — CID 131685973

IUPACN-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3(F)CCC3)C2)C1)C1CC1
InChIInChI=1S/C16H23FN2O2/c17-16(4-1-5-16)14(21)19-7-6-15(10-19)8-12(9-15)18-13(20)11-2-3-11/h11-12H,1-10H2,(H,18,20)
InChIKeyZNUJZQDDDGIXTK-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.79
Rot. Bonds3

About N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131685973) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131685973
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3(F)CCC3)C2)C1)C1CC1
InChIInChI=1S/C16H23FN2O2/c17-16(4-1-5-16)14(21)19-7-6-15(10-19)8-12(9-15)18-13(20)11-2-3-11/h11-12H,1-10H2,(H,18,20)
InChIKeyZNUJZQDDDGIXTK-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131685973) is N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is O=C(NC1CC2(CCN(C(=O)C3(F)CCC3)C2)C1)C1CC1.
What is the InChIKey of N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is ZNUJZQDDDGIXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-16(4-1-5-16)14(21)19-7-6-15(10-19)8-12(9-15)18-13(20)11-2-3-11/h11-12H,1-10H2,(H,18,20).
What are the key properties of N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131685973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).