N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C16H22F2N2O2 — CID 131682903

IUPACN-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C16H22F2N2O2/c17-16(18)6-10(7-16)14(22)20-5-4-15(9-20)8-12(15)13(21)19-11-2-1-3-11/h10-12H,1-9H2,(H,19,21)
InChIKeyCZRFCXNTPSMDAB-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.94
Rot. Bonds3

About N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 131682903) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID131682903
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C16H22F2N2O2/c17-16(18)6-10(7-16)14(22)20-5-4-15(9-20)8-12(15)13(21)19-11-2-1-3-11/h10-12H,1-9H2,(H,19,21)
InChIKeyCZRFCXNTPSMDAB-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.94
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
(2S,5S)-N-[(1S)-1-cyanoethyl]-6,6-dimethyl-3-[2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170036533
N-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 81722007
(5S,9S)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895299
(5R,9R)-2-(cyclopropylmethyl)-N-(3,3-difluorocyclobutyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897814
N-cyclopropyl-N-(2,2-difluoroethyl)-3-pyrrolidin-3-ylpropanamide
CID 120074673
N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 120449886
N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 120451495
N-(2,2-difluoroethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 120453134
N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682898
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

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 131682903) is N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CCC1)C1CC12CCN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is CZRFCXNTPSMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c17-16(18)6-10(7-16)14(22)20-5-4-15(9-20)8-12(15)13(21)19-11-2-1-3-11/h10-12H,1-9H2,(H,19,21).
What are the key properties of N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131682903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).