3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride

C17H23ClN4O3 — CID 67997669

IUPAC3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.NCCCCC1(N2Cc3c(N)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C17H22N4O3.ClH/c18-9-2-1-7-17(8-6-14(22)20-16(17)24)21-10-12-11(15(21)23)4-3-5-13(12)19;/h3-5H,1-2,6-10,18-19H2,(H,20,22,24);1H
InChIKeyKZDPHWYNUPYBHA-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.95
Rot. Bonds5

About 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride

3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride (PubChem CID 67997669) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
PubChem CID67997669
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.NCCCCC1(N2Cc3c(N)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C17H22N4O3.ClH/c18-9-2-1-7-17(8-6-14(22)20-16(17)24)21-10-12-11(15(21)23)4-3-5-13(12)19;/h3-5H,1-2,6-10,18-19H2,(H,20,22,24);1H
InChIKeyKZDPHWYNUPYBHA-UHFFFAOYSA-N
XLogP0.95
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[3-(4-aminobutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;hydrochloride
CID 67997624
4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166923781
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
CID 68605728
3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione
CID 22241185
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
4-amino-2-iodo-3H-isoindol-1-one
CID 134313534
4-amino-2-(2-ethylphenyl)-3H-isoindol-1-one
CID 82165788
3-[7-[[1-(4-aminobutyl)-4-methylcyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 170702131
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 123881098
3-[7-(7-aminoheptylsulfinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150367002
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 166923724

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride (CID 67997669) is 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride is Cl.NCCCCC1(N2Cc3c(N)cccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The InChIKey is KZDPHWYNUPYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c18-9-2-1-7-17(8-6-14(22)20-16(17)24)21-10-12-11(15(21)23)4-3-5-13(12)19;/h3-5H,1-2,6-10,18-19H2,(H,20,22,24);1H.
What are the key properties of 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride?
3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 67997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).