2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione

C24H26N4O4 — CID 108535007

IUPAC2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N4O4/c1-16(28-23(31)19-6-4-5-7-20(19)24(28)32)21(29)26-12-14-27(15-13-26)22(30)17-8-10-18(11-9-17)25(2)3/h4-11,16H,12-15H2,1-3H3
InChIKeyMUWRXTFWNPKMPT-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.72
Rot. Bonds4

About 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 108535007) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID108535007
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N4O4/c1-16(28-23(31)19-6-4-5-7-20(19)24(28)32)21(29)26-12-14-27(15-13-26)22(30)17-8-10-18(11-9-17)25(2)3/h4-11,16H,12-15H2,1-3H3
InChIKeyMUWRXTFWNPKMPT-UHFFFAOYSA-N
XLogP1.72
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[1-oxo-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 108533130
4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
CID 108540337
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007
2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 757446
2-[1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 55337844
2-[1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108535005
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(8aS)-7-[4-(dimethylamino)benzoyl]-2-[(1S)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7663055
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453800
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 23739700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione (CID 108535007) is 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is MUWRXTFWNPKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16(28-23(31)19-6-4-5-7-20(19)24(28)32)21(29)26-12-14-27(15-13-26)22(30)17-8-10-18(11-9-17)25(2)3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 434.50 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108535007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).