(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C13H21F2N3O — CID 129269847

IUPAC(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2N3O/c1-16-8-10-2-3-11(9-16)18(10)12(19)17-6-4-13(14,15)5-7-17/h10-11H,2-9H2,1H3
InChIKeyBLILDQPFORKSPS-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.62
Rot. Bonds

About (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269847) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269847
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H21F2N3O/c1-16-8-10-2-3-11(9-16)18(10)12(19)17-6-4-13(14,15)5-7-17/h10-11H,2-9H2,1H3
InChIKeyBLILDQPFORKSPS-UHFFFAOYSA-N
XLogP1.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(4,4-Difluoropiperidin-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 117710739
(4,4-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200332
(3,3-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752735
(3-Fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269350
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
(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269838
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 137444381
(4,4-Difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444385
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137444456
(3,3-Difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444482

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269847) is (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is BLILDQPFORKSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-16-8-10-2-3-11(9-16)18(10)12(19)17-6-4-13(14,15)5-7-17/h10-11H,2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).