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

C15H21FN2O2 — CID 131687262

IUPACN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1)C1CC1
InChIInChI=1S/C15H21FN2O2/c16-15(3-4-15)13(20)18-6-5-14(9-18)7-11(8-14)17-12(19)10-1-2-10/h10-11H,1-9H2,(H,17,19)
InChIKeyBUYZDYJBRHEGDX-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.40
Rot. Bonds3

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

N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131687262) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131687262
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1)C1CC1
InChIInChI=1S/C15H21FN2O2/c16-15(3-4-15)13(20)18-6-5-14(9-18)7-11(8-14)17-12(19)10-1-2-10/h10-11H,1-9H2,(H,17,19)
InChIKeyBUYZDYJBRHEGDX-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131687262) is N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is O=C(NC1CC2(CCN(C(=O)C3(F)CC3)C2)C1)C1CC1.
What is the InChIKey of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is BUYZDYJBRHEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-15(3-4-15)13(20)18-6-5-14(9-18)7-11(8-14)17-12(19)10-1-2-10/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131687262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).