2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione

C20H22N2O2 — CID 67079556

IUPAC2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1CCCC1CCCNC1
InChIInChI=1S/C20H22N2O2/c23-19-17-11-15-7-1-2-8-16(15)12-18(17)20(24)22(19)10-4-6-14-5-3-9-21-13-14/h1-2,7-8,11-12,14,21H,3-6,9-10,13H2
InChIKeyNUFVVMMODHPQEQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione

2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione (PubChem CID 67079556) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione
PubChem CID67079556
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1CCCC1CCCNC1
InChIInChI=1S/C20H22N2O2/c23-19-17-11-15-7-1-2-8-16(15)12-18(17)20(24)22(19)10-4-6-14-5-3-9-21-13-14/h1-2,7-8,11-12,14,21H,3-6,9-10,13H2
InChIKeyNUFVVMMODHPQEQ-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-piperidin-3-ylethyl)isoindole-1,3-dione
CID 63629916
2-(piperidin-3-ylmethyl)-4H-isoquinoline-1,3-dione
CID 43123761
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
3-(2-piperidin-3-ylethoxy)-2H-isoquinolin-1-one
CID 62357366
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
CID 67079487
CID 67079487
1-(2-piperidin-3-ylethyl)cinnolin-4-one
CID 62356873
2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 10601376

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione (CID 67079556) is 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione is O=C1c2cc3ccccc3cc2C(=O)N1CCCC1CCCNC1.
What is the InChIKey of 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione?
The InChIKey is NUFVVMMODHPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19-17-11-15-7-1-2-8-16(15)12-18(17)20(24)22(19)10-4-6-14-5-3-9-21-13-14/h1-2,7-8,11-12,14,21H,3-6,9-10,13H2.
What are the key properties of 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione?
2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione has a molecular weight of 322.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpropyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 67079556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).