N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C16H23FN2O2 — CID 131683537

IUPACN-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C16H23FN2O2/c17-16(5-2-6-16)14(21)19-8-7-15(10-19)9-12(15)13(20)18-11-3-1-4-11/h11-12H,1-10H2,(H,18,20)
InChIKeyPFNLKZDUFXCNPT-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.79
Rot. Bonds3

About N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 131683537) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID131683537
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C16H23FN2O2/c17-16(5-2-6-16)14(21)19-8-7-15(10-19)9-12(15)13(20)18-11-3-1-4-11/h11-12H,1-10H2,(H,18,20)
InChIKeyPFNLKZDUFXCNPT-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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Related Compounds

2,2,2-trifluoro-N-[3-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]acetamide
CID 169585152
N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682898
N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682903
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131685973
N-[6-(3,3-difluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687180
N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687262
(1R,5R)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-3-azabicyclo[3.2.0]heptane-1-carboxamide
CID 154807687
N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850429
3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide
CID 166327811
[(1S)-2,2-dimethyl-3-(methylamino)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 90327193
[2,2-Dimethyl-3-(methylamino)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 90327212
2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 81178986

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 131683537) is N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CCC1)C2.
What is the InChIKey of N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is PFNLKZDUFXCNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-16(5-2-6-16)14(21)19-8-7-15(10-19)9-12(15)13(20)18-11-3-1-4-11/h11-12H,1-10H2,(H,18,20).
What are the key properties of N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide 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-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).