azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone

C9H15FN2O — CID 84719009

IUPACazetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
SMILESO=C(N1CCC1)C1(F)CCCNC1
InChIInChI=1S/C9H15FN2O/c10-9(3-1-4-11-7-9)8(13)12-5-2-6-12/h11H,1-7H2
InChIKeyQMHZCGUJCQVLFF-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.31
Rot. Bonds1

About azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone

azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone (PubChem CID 84719009) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
PubChem CID84719009
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Nameazetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
SMILESO=C(N1CCC1)C1(F)CCCNC1
InChIInChI=1S/C9H15FN2O/c10-9(3-1-4-11-7-9)8(13)12-5-2-6-12/h11H,1-7H2
InChIKeyQMHZCGUJCQVLFF-UHFFFAOYSA-N
XLogP0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 176675857
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 130747822
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
CID 84719189
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride
CID 119042660
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone?
The IUPAC name of azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone (CID 84719009) is azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone?
The canonical SMILES for azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone is O=C(N1CCC1)C1(F)CCCNC1.
What is the InChIKey of azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone?
The InChIKey is QMHZCGUJCQVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-9(3-1-4-11-7-9)8(13)12-5-2-6-12/h11H,1-7H2.
What are the key properties of azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone?
azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone has a molecular weight of 186.23 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone is sourced from PubChem (CID 84719009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).