(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

C11H18FN3O — CID 134516725

IUPAC(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCN1CC2CC(C1)N2C(=O)N1CCC(F)C1
InChIInChI=1S/C11H18FN3O/c1-13-6-9-4-10(7-13)15(9)11(16)14-3-2-8(12)5-14/h8-10H,2-7H2,1H3
InChIKeyDBTWQPGOLGWMLD-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.54
Rot. Bonds

About (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (PubChem CID 134516725) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
PubChem CID134516725
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCN1CC2CC(C1)N2C(=O)N1CCC(F)C1
InChIInChI=1S/C11H18FN3O/c1-13-6-9-4-10(7-13)15(9)11(16)14-3-2-8(12)5-14/h8-10H,2-7H2,1H3
InChIKeyDBTWQPGOLGWMLD-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-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone with MolForge

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Related Compounds

(3-Fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200330
(4-Fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200331
(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-Fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134435883
(3-Fluoroazetidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929197
(3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(3-fluoropyrrolidin-1-yl)methanone
CID 156181454
(4-Butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
CID 166828303
(3-Propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
CID 134435892
(3-Ethyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
CID 134511751
pyrrolidin-1-yl-[3-[(1S)-1-sulfanylethyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 139313329

Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (CID 134516725) is (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is CN1CC2CC(C1)N2C(=O)N1CCC(F)C1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The InChIKey is DBTWQPGOLGWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-13-6-9-4-10(7-13)15(9)11(16)14-3-2-8(12)5-14/h8-10H,2-7H2,1H3.
What are the key properties of (3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
(3-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-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-fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is sourced from PubChem (CID 134516725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).