2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione

C16H19N3O3 — CID 119374064

IUPAC2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(N)CC1)C2=O
InChIInChI=1S/C16H19N3O3/c1-10-2-3-12-13(8-10)16(22)19(15(12)21)9-14(20)18-6-4-11(17)5-7-18/h2-3,8,11H,4-7,9,17H2,1H3
InChIKeyLJWBMCOVTPGDPH-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.54
Rot. Bonds2

About 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione

2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione (PubChem CID 119374064) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
PubChem CID119374064
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(N)CC1)C2=O
InChIInChI=1S/C16H19N3O3/c1-10-2-3-12-13(8-10)16(22)19(15(12)21)9-14(20)18-6-4-11(17)5-7-18/h2-3,8,11H,4-7,9,17H2,1H3
InChIKeyLJWBMCOVTPGDPH-UHFFFAOYSA-N
XLogP0.54
TPSA83.71 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 ≤ 50.54
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-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119577661
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
5-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 39713096
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119519112
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2706933
2-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119485488
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxobutyl]-5-methylisoindole-1,3-dione
CID 55901271
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110365431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione (CID 119374064) is 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(N)CC1)C2=O.
What is the InChIKey of 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione?
The InChIKey is LJWBMCOVTPGDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-2-3-12-13(8-10)16(22)19(15(12)21)9-14(20)18-6-4-11(17)5-7-18/h2-3,8,11H,4-7,9,17H2,1H3.
What are the key properties of 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione?
2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione has a molecular weight of 301.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 119374064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).