N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide

C13H21F2N3O — CID 128814786

IUPACN-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)N1CC2CCCC(C1)N2
InChIInChI=1S/C13H21F2N3O/c14-13(15)4-9(5-13)6-16-12(19)18-7-10-2-1-3-11(8-18)17-10/h9-11,17H,1-8H2,(H,16,19)
InChIKeyPOZMOOFNQBOWRN-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.57
Rot. Bonds2

About N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 128814786) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID128814786
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)N1CC2CCCC(C1)N2
InChIInChI=1S/C13H21F2N3O/c14-13(15)4-9(5-13)6-16-12(19)18-7-10-2-1-3-11(8-18)17-10/h9-11,17H,1-8H2,(H,16,19)
InChIKeyPOZMOOFNQBOWRN-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide (CID 128814786) is N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide is O=C(NCC1CC(F)(F)C1)N1CC2CCCC(C1)N2.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is POZMOOFNQBOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c14-13(15)4-9(5-13)6-16-12(19)18-7-10-2-1-3-11(8-18)17-10/h9-11,17H,1-8H2,(H,16,19).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide?
N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 128814786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).