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

C15H21FN2O2 — CID 131682898

IUPACN-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C15H21FN2O2/c16-15(4-5-15)13(20)18-7-6-14(9-18)8-11(14)12(19)17-10-2-1-3-10/h10-11H,1-9H2,(H,17,19)
InChIKeyIAEDGYUAHYUKHL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.40
Rot. Bonds3

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

N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 131682898) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID131682898
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CC1)C2
InChIInChI=1S/C15H21FN2O2/c16-15(4-5-15)13(20)18-7-6-14(9-18)8-11(14)12(19)17-10-2-1-3-10/h10-11H,1-9H2,(H,17,19)
InChIKeyIAEDGYUAHYUKHL-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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Related Compounds

2-[1-(cyclobutylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-N-cyclopropylacetamide
CID 91917795
N-cyclopropyl-5-azaspiro[2.4]heptane-1-carboxamide
CID 131090122
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-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 120451495
N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682903
N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683537
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131685973
N-[6-(1-fluorocyclopropanecarbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687262
N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850429
N-[(3S,4R)-1-(1-cyclopropylcyclopropanecarbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 166298087
((1R,3S)-3-amino-2,2-dimethylcyclobutyl)(pyrrolidin-1-yl)methanone
CID 58110992
((1S,3R)-3-amino-2,2-dimethylcyclobutyl)(pyrrolidin-1-yl)methanone
CID 58111068

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 131682898) is N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CCC1)C1CC12CCN(C(=O)C1(F)CC1)C2.
What is the InChIKey of N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is IAEDGYUAHYUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-15(4-5-15)13(20)18-7-6-14(9-18)8-11(14)12(19)17-10-2-1-3-10/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide 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-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131682898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).