2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione

C17H20N2O3 — CID 802386

IUPAC2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-15(18-10-4-1-5-11-18)9-6-12-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-3,7-8H,1,4-6,9-12H2
InChIKeyHSMABQDXJOQRJS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione

2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione (PubChem CID 802386) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
PubChem CID802386
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C17H20N2O3/c20-15(18-10-4-1-5-11-18)9-6-12-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-3,7-8H,1,4-6,9-12H2
InChIKeyHSMABQDXJOQRJS-UHFFFAOYSA-N
XLogP2.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
2-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122334965
methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-1,4-diazepane-1-carboxylate
CID 110798997
2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 9079094
2-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108534445
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573
2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108536789
2-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110294886
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-[4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 108569620
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110867879

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione (CID 802386) is 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione is O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCCC1.
What is the InChIKey of 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione?
The InChIKey is HSMABQDXJOQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15(18-10-4-1-5-11-18)9-6-12-19-16(21)13-7-2-3-8-14(13)17(19)22/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione?
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione has a molecular weight of 300.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione is sourced from PubChem (CID 802386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).