1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C15H21N3O5 — CID 127809345

IUPAC1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1
InChIInChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3
InChIKeyNYFKAOJEWJSKPT-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.16
Rot. Bonds3

About 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 127809345) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID127809345
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1
InChIInChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3
InChIKeyNYFKAOJEWJSKPT-UHFFFAOYSA-N
XLogP-1.16
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3,5-dione
CID 62024384
1-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90589994
1-[2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55833891
[4-(N-ethyl-C-methylcarbonimidoyl)-3-propan-2-ylidenepiperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 135159606
1-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 146083454
3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 65301917
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
CID 56756430
1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55824988
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156485
(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
CID 126999557
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 60667552
2-(1-adamantyl)-N-[2-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 55949962

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 127809345) is 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC1(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)COC1.
What is the InChIKey of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NYFKAOJEWJSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-15(9-23-10-15)14(22)17-6-4-16(5-7-17)13(21)8-18-11(19)2-3-12(18)20/h2-10H2,1H3.
What are the key properties of 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 323.35 g/mol, XLogP of -1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 127809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).