2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione

C24H26N2O3 — CID 16609140

IUPAC2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N2O3/c27-22(18-8-2-1-3-9-18)19-12-16-25(17-13-19)14-6-7-15-26-23(28)20-10-4-5-11-21(20)24(26)29/h1-5,8-11,19H,6-7,12-17H2
InChIKeyYTFUKTGVJKQWQO-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.66
Rot. Bonds7

About 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione

2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione (PubChem CID 16609140) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
PubChem CID16609140
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N2O3/c27-22(18-8-2-1-3-9-18)19-12-16-25(17-13-19)14-6-7-15-26-23(28)20-10-4-5-11-21(20)24(26)29/h1-5,8-11,19H,6-7,12-17H2
InChIKeyYTFUKTGVJKQWQO-UHFFFAOYSA-N
XLogP3.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35169844
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
2-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 20718041
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
CID 95330711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione (CID 16609140) is 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione is O=C(c1ccccc1)C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione?
The InChIKey is YTFUKTGVJKQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22(18-8-2-1-3-9-18)19-12-16-25(17-13-19)14-6-7-15-26-23(28)20-10-4-5-11-21(20)24(26)29/h1-5,8-11,19H,6-7,12-17H2.
What are the key properties of 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione?
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione has a molecular weight of 390.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 16609140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).