1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C14H15N3O3 — CID 159202967

IUPAC1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C14H15N3O3/c15-7-9-4-5-11-10(6-9)8-16(14(11)20)17-12(18)2-1-3-13(17)19/h4-6H,1-3,7-8,15H2
InChIKeyNZPKWCCQNCDPGB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.56
Rot. Bonds2

About 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 159202967) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID159202967
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C14H15N3O3/c15-7-9-4-5-11-10(6-9)8-16(14(11)20)17-12(18)2-1-3-13(17)19/h4-6H,1-3,7-8,15H2
InChIKeyNZPKWCCQNCDPGB-UHFFFAOYSA-N
XLogP0.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 159202967) is 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCc1ccc2c(c1)CN(N1C(=O)CCCC1=O)C2=O.
What is the InChIKey of 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NZPKWCCQNCDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-9-4-5-11-10(6-9)8-16(14(11)20)17-12(18)2-1-3-13(17)19/h4-6H,1-3,7-8,15H2.
What are the key properties of 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 273.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 159202967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).