methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate

C14H22N2O4 — CID 62027718

IUPACmethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O4/c1-20-14(19)10-11-4-2-3-7-15(11)8-9-16-12(17)5-6-13(16)18/h11H,2-10H2,1H3
InChIKeyVXWWEMFCMWZAMT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.55
Rot. Bonds5

About methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate (PubChem CID 62027718) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
PubChem CID62027718
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O4/c1-20-14(19)10-11-4-2-3-7-15(11)8-9-16-12(17)5-6-13(16)18/h11H,2-10H2,1H3
InChIKeyVXWWEMFCMWZAMT-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

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

Analyze methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 61363381
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370523
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
CID 106708111
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate (CID 62027718) is methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CCN1C(=O)CCC1=O.
What is the InChIKey of methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The InChIKey is VXWWEMFCMWZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-14(19)10-11-4-2-3-7-15(11)8-9-16-12(17)5-6-13(16)18/h11H,2-10H2,1H3.
What are the key properties of methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate has a molecular weight of 282.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62027718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).