(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C11H18FN3O — CID 129269350

IUPAC(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(F)C1
InChIInChI=1S/C11H18FN3O/c1-13-6-9-2-3-10(7-13)15(9)11(16)14-4-8(12)5-14/h8-10H,2-7H2,1H3
InChIKeyARWFASOJANFDHT-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.54
Rot. Bonds

About (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269350) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269350
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(F)C1
InChIInChI=1S/C11H18FN3O/c1-13-6-9-2-3-10(7-13)15(9)11(16)14-4-8(12)5-14/h8-10H,2-7H2,1H3
InChIKeyARWFASOJANFDHT-UHFFFAOYSA-N
XLogP0.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone
CID 134790154
3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl fluoride
CID 59418233
(3-Fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269373
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 129269391
(3,3-Difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269533
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269734
(4,4-Difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269847
(3-Iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269977
[3-[Difluoro(iodo)methyl]azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129270102
(3-Fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134435883
(3-Fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134516725
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
CID 137444333

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269350) is (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is ARWFASOJANFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-13-6-9-2-3-10(7-13)15(9)11(16)14-4-8(12)5-14/h8-10H,2-7H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 227.28 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).