methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate

C15H21NO5 — CID 53368188

IUPACmethyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H21NO5/c1-10-7-12(17)15(19)13(21-10)9-16-5-3-11(4-6-16)8-14(18)20-2/h7,11,19H,3-6,8-9H2,1-2H3
InChIKeyWNLRZZUSHOBPNE-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate

methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate (PubChem CID 53368188) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate
PubChem CID53368188
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H21NO5/c1-10-7-12(17)15(19)13(21-10)9-16-5-3-11(4-6-16)8-14(18)20-2/h7,11,19H,3-6,8-9H2,1-2H3
InChIKeyWNLRZZUSHOBPNE-UHFFFAOYSA-N
XLogP1.43
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate (CID 53368188) is methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(Cc2oc(C)cc(=O)c2O)CC1.
What is the InChIKey of methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate?
The InChIKey is WNLRZZUSHOBPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-7-12(17)15(19)13(21-10)9-16-5-3-11(4-6-16)8-14(18)20-2/h7,11,19H,3-6,8-9H2,1-2H3.
What are the key properties of methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate?
methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate has a molecular weight of 295.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 53368188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).