methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate

C14H22N2O4 — CID 62026960

IUPACmethyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)N1CCCC1=O
InChIInChI=1S/C14H22N2O4/c1-20-14(19)9-11-5-2-3-7-15(11)10-13(18)16-8-4-6-12(16)17/h11H,2-10H2,1H3
InChIKeyVFJTVFVJYPIXKV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate (PubChem CID 62026960) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
PubChem CID62026960
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)N1CCCC1=O
InChIInChI=1S/C14H22N2O4/c1-20-14(19)9-11-5-2-3-7-15(11)10-13(18)16-8-4-6-12(16)17/h11H,2-10H2,1H3
InChIKeyVFJTVFVJYPIXKV-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate (CID 62026960) is methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)N1CCCC1=O.
What is the InChIKey of methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The InChIKey is VFJTVFVJYPIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-14(19)9-11-5-2-3-7-15(11)10-13(18)16-8-4-6-12(16)17/h11H,2-10H2,1H3.
What are the key properties of methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate has a molecular weight of 282.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62026960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).