2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine

C14H17N3O4 — CID 21152099

IUPAC2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
SMILESC1CNCCN1.O=C(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4.C4H10N2/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;1-2-6-4-3-5-1/h1-4H,5H2,(H,12,13);5-6H,1-4H2
InChIKeyGFBDXOMSICCAAP-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.45
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine

2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine (PubChem CID 21152099) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
PubChem CID21152099
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
SMILESC1CNCCN1.O=C(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4.C4H10N2/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;1-2-6-4-3-5-1/h1-4H,5H2,(H,12,13);5-6H,1-4H2
InChIKeyGFBDXOMSICCAAP-UHFFFAOYSA-N
XLogP-0.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[(1E)-1-ethylidene-3-oxoisoindol-2-yl]acetic acid
CID 137320896
2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine
CID 174548084
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[(4Z)-1,3-dioxo-4-[(4-phenylphenyl)methylidene]isoquinolin-2-yl]acetic acid
CID 9367828
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
CID 68525150
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
CID 175288610
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine (CID 21152099) is 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine is C1CNCCN1.O=C(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine?
The InChIKey is GFBDXOMSICCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4.C4H10N2/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15;1-2-6-4-3-5-1/h1-4H,5H2,(H,12,13);5-6H,1-4H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine?
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine has a molecular weight of 291.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine is sourced from PubChem (CID 21152099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).