2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione

C18H23N3O3 — CID 119593987

IUPAC2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC(C(C)N)C1)C2=O
InChIInChI=1S/C18H23N3O3/c1-11-5-6-14-15(8-11)18(24)21(17(14)23)10-16(22)20-7-3-4-13(9-20)12(2)19/h5-6,8,12-13H,3-4,7,9-10,19H2,1-2H3
InChIKeyHGLRVEGYJOACPZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds3

About 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione

2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione (PubChem CID 119593987) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
PubChem CID119593987
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC(C(C)N)C1)C2=O
InChIInChI=1S/C18H23N3O3/c1-11-5-6-14-15(8-11)18(24)21(17(14)23)10-16(22)20-7-3-4-13(9-20)12(2)19/h5-6,8,12-13H,3-4,7,9-10,19H2,1-2H3
InChIKeyHGLRVEGYJOACPZ-UHFFFAOYSA-N
XLogP1.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
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-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119595018
2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
CID 119594509
2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 119410513
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119596061
2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119374064
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119519112
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone;hydrochloride
CID 86777585
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119577661
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940
3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119593328
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione (CID 119593987) is 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC(C(C)N)C1)C2=O.
What is the InChIKey of 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione?
The InChIKey is HGLRVEGYJOACPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-5-6-14-15(8-11)18(24)21(17(14)23)10-16(22)20-7-3-4-13(9-20)12(2)19/h5-6,8,12-13H,3-4,7,9-10,19H2,1-2H3.
What are the key properties of 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione?
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione has a molecular weight of 329.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 119593987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).