5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C16H19N3O3 — CID 119577661

IUPAC5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCNC(C)C1)C2=O
InChIInChI=1S/C16H19N3O3/c1-10-3-4-12-13(7-10)16(22)19(15(12)21)9-14(20)18-6-5-17-11(2)8-18/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyRBHMTDXXKRVTEA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.41
Rot. Bonds2

About 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione

5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 119577661) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID119577661
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCNC(C)C1)C2=O
InChIInChI=1S/C16H19N3O3/c1-10-3-4-12-13(7-10)16(22)19(15(12)21)9-14(20)18-6-5-17-11(2)8-18/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyRBHMTDXXKRVTEA-UHFFFAOYSA-N
XLogP0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 119410513
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120656152
2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119374064
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
5-methyl-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192106
5-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 39713096
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 120739215
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119416655
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 119577661) is 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCNC(C)C1)C2=O.
What is the InChIKey of 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is RBHMTDXXKRVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-3-4-12-13(7-10)16(22)19(15(12)21)9-14(20)18-6-5-17-11(2)8-18/h3-4,7,11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 301.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 119577661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).