(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate

C12H22N2O2 — CID 116682683

IUPAC(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate
SMILESCC(C(=O)OC1CCN(C)CC1)C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-7-13-8-10)12(15)16-11-3-5-14(2)6-4-11/h9-11,13H,3-8H2,1-2H3
InChIKeyPZALBXWGBOCUSC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate

(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate (PubChem CID 116682683) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate
PubChem CID116682683
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate
SMILESCC(C(=O)OC1CCN(C)CC1)C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(10-7-13-8-10)12(15)16-11-3-5-14(2)6-4-11/h9-11,13H,3-8H2,1-2H3
InChIKeyPZALBXWGBOCUSC-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate (CID 116682683) is (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate is CC(C(=O)OC1CCN(C)CC1)C1CNC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate?
The InChIKey is PZALBXWGBOCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(10-7-13-8-10)12(15)16-11-3-5-14(2)6-4-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate?
(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate has a molecular weight of 226.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate is sourced from PubChem (CID 116682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).