3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one

C11H21NO4 — CID 106993166

IUPAC3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one
SMILESCOCCOCC(O)CC1CCCNC1=O
InChIInChI=1S/C11H21NO4/c1-15-5-6-16-8-10(13)7-9-3-2-4-12-11(9)14/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyRZBDRBDDFQABCM-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.07
Rot. Bonds7

About 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one

3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one (PubChem CID 106993166) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one
PubChem CID106993166
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one
SMILESCOCCOCC(O)CC1CCCNC1=O
InChIInChI=1S/C11H21NO4/c1-15-5-6-16-8-10(13)7-9-3-2-4-12-11(9)14/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyRZBDRBDDFQABCM-UHFFFAOYSA-N
XLogP-0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-3-methoxypropyl)azepan-2-one
CID 104679704
3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
CID 104679374
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
2-(2-hydroxy-3-methoxypropyl)cycloheptan-1-one
CID 79416864
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
methyl (2-oxoazepan-3-yl)methyl carbonate
CID 139614843

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one?
The IUPAC name of 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one (CID 106993166) is 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one is COCCOCC(O)CC1CCCNC1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one?
The InChIKey is RZBDRBDDFQABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-5-6-16-8-10(13)7-9-3-2-4-12-11(9)14/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one?
3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one has a molecular weight of 231.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one is sourced from PubChem (CID 106993166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).