azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone

C9H16N2O2 — CID 127007570

IUPACazetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCN1)N1CCC(O)CC1
InChIInChI=1S/C9H16N2O2/c12-7-2-5-11(6-3-7)9(13)8-1-4-10-8/h7-8,10,12H,1-6H2
InChIKeyTYDYDVXYBQLFHH-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds1

About azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone

azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 127007570) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID127007570
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameazetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCN1)N1CCC(O)CC1
InChIInChI=1S/C9H16N2O2/c12-7-2-5-11(6-3-7)9(13)8-1-4-10-8/h7-8,10,12H,1-6H2
InChIKeyTYDYDVXYBQLFHH-UHFFFAOYSA-N
XLogP-0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone (CID 127007570) is azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CCN1)N1CCC(O)CC1.
What is the InChIKey of azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is TYDYDVXYBQLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-7-2-5-11(6-3-7)9(13)8-1-4-10-8/h7-8,10,12H,1-6H2.
What are the key properties of azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone?
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 127007570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).