1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione

C17H29NO4 — CID 126777502

IUPAC1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
SMILESCC(=O)CCCC(=O)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H29NO4/c1-14(19)5-4-7-17(20)18-10-8-15(9-11-18)22-13-16-6-2-3-12-21-16/h15-16H,2-13H2,1H3
InChIKeyZEYSYFPTKVGOED-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.32
Rot. Bonds7

About 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione

1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione (PubChem CID 126777502) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione.

Molecular Properties

Compound Name1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
PubChem CID126777502
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
SMILESCC(=O)CCCC(=O)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H29NO4/c1-14(19)5-4-7-17(20)18-10-8-15(9-11-18)22-13-16-6-2-3-12-21-16/h15-16H,2-13H2,1H3
InChIKeyZEYSYFPTKVGOED-UHFFFAOYSA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448903
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]acetamide
CID 109447633
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione?
The IUPAC name of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione (CID 126777502) is 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione.
What is the SMILES notation for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione?
The canonical SMILES for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione is CC(=O)CCCC(=O)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione?
The InChIKey is ZEYSYFPTKVGOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-14(19)5-4-7-17(20)18-10-8-15(9-11-18)22-13-16-6-2-3-12-21-16/h15-16H,2-13H2,1H3.
What are the key properties of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione?
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione has a molecular weight of 311.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione is sourced from PubChem (CID 126777502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).