2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C15H27N3O2 — CID 102611887

IUPAC2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1(OCC(=O)N2CCCC(N3CCCC3)C2)CNC1
InChIInChI=1S/C15H27N3O2/c1-15(11-16-12-15)20-10-14(19)18-8-4-5-13(9-18)17-6-2-3-7-17/h13,16H,2-12H2,1H3
InChIKeyRWCLLCMHBIPBIQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.45
Rot. Bonds4

About 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 102611887) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID102611887
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1(OCC(=O)N2CCCC(N3CCCC3)C2)CNC1
InChIInChI=1S/C15H27N3O2/c1-15(11-16-12-15)20-10-14(19)18-8-4-5-13(9-18)17-6-2-3-7-17/h13,16H,2-12H2,1H3
InChIKeyRWCLLCMHBIPBIQ-UHFFFAOYSA-N
XLogP0.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 102611887) is 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone is CC1(OCC(=O)N2CCCC(N3CCCC3)C2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is RWCLLCMHBIPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(11-16-12-15)20-10-14(19)18-8-4-5-13(9-18)17-6-2-3-7-17/h13,16H,2-12H2,1H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102611887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).