(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate

C11H19N3O3 — CID 86058728

IUPAC(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate
SMILESCN1CCN(CC(=O)ON2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O3/c1-12-5-7-13(8-6-12)9-11(16)17-14-4-2-3-10(14)15/h2-9H2,1H3
InChIKeyCWMWNSHWGQODOB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.69
Rot. Bonds3

About (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate

(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate (PubChem CID 86058728) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate
PubChem CID86058728
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate
SMILESCN1CCN(CC(=O)ON2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O3/c1-12-5-7-13(8-6-12)9-11(16)17-14-4-2-3-10(14)15/h2-9H2,1H3
InChIKeyCWMWNSHWGQODOB-UHFFFAOYSA-N
XLogP-0.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[4-[2-oxo-2-(2-oxopyrrolidin-1-yl)oxyethyl]piperazin-1-yl]propanoate
CID 170246411
(2,5-dihydroxypyrrol-1-yl) 2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetate
CID 123238025
(2-oxopyrrolidin-1-yl) but-3-enoate
CID 68874665
(2-oxopyrrolidin-1-yl) hydrogen carbonate
CID 57473687
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135973
2-[4-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]-7,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 123369647
tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 162131935
4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
CID 10424666
1-butan-2-yloxypyrrolidin-2-one
CID 163678451
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
2-(ditert-butylamino)ethyl 2-(4-methylpiperazin-1-yl)acetate
CID 176648451
1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
CID 145123754

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate (CID 86058728) is (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate is CN1CCN(CC(=O)ON2CCCC2=O)CC1.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate?
The InChIKey is CWMWNSHWGQODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-12-5-7-13(8-6-12)9-11(16)17-14-4-2-3-10(14)15/h2-9H2,1H3.
What are the key properties of (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate?
(2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate has a molecular weight of 241.29 g/mol, XLogP of -0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 86058728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).