[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C14H22N2O4 — CID 97149583

IUPAC[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C14H22N2O4/c1-11-8-12(20-15-11)13(18)16-6-3-4-14(9-16,10-17)5-7-19-2/h8,17H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyWRYZOGVAFUMZEW-AWEZNQCLSA-N
MW282.34 g/mol
LogP1.23
Rot. Bonds5

About [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 97149583) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID97149583
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCOCC[C@@]1(CO)CCCN(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C14H22N2O4/c1-11-8-12(20-15-11)13(18)16-6-3-4-14(9-16,10-17)5-7-19-2/h8,17H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyWRYZOGVAFUMZEW-AWEZNQCLSA-N
XLogP1.23
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 72892757
(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 115874476
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138469
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 97120712
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 72914663

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 97149583) is [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is COCC[C@@]1(CO)CCCN(C(=O)c2cc(C)no2)C1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is WRYZOGVAFUMZEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-11-8-12(20-15-11)13(18)16-6-3-4-14(9-16,10-17)5-7-19-2/h8,17H,3-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97149583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).