2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C16H30N2O3 — CID 155031564

IUPAC2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COCCCOC2CNC2)CC1
InChIInChI=1S/C16H30N2O3/c1-13(2)14-4-6-18(7-5-14)16(19)12-20-8-3-9-21-15-10-17-11-15/h13-15,17H,3-12H2,1-2H3
InChIKeyXHTQLQQHHQIKRQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.28
Rot. Bonds8

About 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 155031564) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID155031564
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COCCCOC2CNC2)CC1
InChIInChI=1S/C16H30N2O3/c1-13(2)14-4-6-18(7-5-14)16(19)12-20-8-3-9-21-15-10-17-11-15/h13-15,17H,3-12H2,1-2H3
InChIKeyXHTQLQQHHQIKRQ-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium
CID 176983595
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 155031564) is 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)COCCCOC2CNC2)CC1.
What is the InChIKey of 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is XHTQLQQHHQIKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(2)14-4-6-18(7-5-14)16(19)12-20-8-3-9-21-15-10-17-11-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 155031564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).