(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C10H18FN3O — CID 176675857

IUPAC(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2(F)CNC2)CC1
InChIInChI=1S/C10H18FN3O/c1-13-3-2-4-14(6-5-13)9(15)10(11)7-12-8-10/h12H,2-8H2,1H3
InChIKeyQUYXOSBJPRDVSB-UHFFFAOYSA-N
MW215.27 g/mol
LogP-0.54
Rot. Bonds1

About (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 176675857) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID176675857
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2(F)CNC2)CC1
InChIInChI=1S/C10H18FN3O/c1-13-3-2-4-14(6-5-13)9(15)10(11)7-12-8-10/h12H,2-8H2,1H3
InChIKeyQUYXOSBJPRDVSB-UHFFFAOYSA-N
XLogP-0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 176675857) is (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)C2(F)CNC2)CC1.
What is the InChIKey of (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is QUYXOSBJPRDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-13-3-2-4-14(6-5-13)9(15)10(11)7-12-8-10/h12H,2-8H2,1H3.
What are the key properties of (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 215.27 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 176675857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).