methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate

C15H26N2O3 — CID 62026957

IUPACmethyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O3/c1-12(15(19)16-8-5-6-9-16)17-10-4-3-7-13(17)11-14(18)20-2/h12-13H,3-11H2,1-2H3
InChIKeyXWWIYFKUQFYVMF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate

methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate (PubChem CID 62026957) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate
PubChem CID62026957
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O3/c1-12(15(19)16-8-5-6-9-16)17-10-4-3-7-13(17)11-14(18)20-2/h12-13H,3-11H2,1-2H3
InChIKeyXWWIYFKUQFYVMF-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate (CID 62026957) is methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(C)C(=O)N1CCCC1.
What is the InChIKey of methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate?
The InChIKey is XWWIYFKUQFYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(15(19)16-8-5-6-9-16)17-10-4-3-7-13(17)11-14(18)20-2/h12-13H,3-11H2,1-2H3.
What are the key properties of methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate?
methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate has a molecular weight of 282.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 62026957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).