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

C21H24N4O2 — CID 17456984

IUPAC2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N4O2/c26-20-17-7-1-2-8-18(17)21(27)25(20)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-22-19/h1-4,7-10H,5-6,11-16H2
InChIKeyFDXZUGDSBYONEP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds6

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

2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione (PubChem CID 17456984) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione
PubChem CID17456984
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N4O2/c26-20-17-7-1-2-8-18(17)21(27)25(20)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-22-19/h1-4,7-10H,5-6,11-16H2
InChIKeyFDXZUGDSBYONEP-UHFFFAOYSA-N
XLogP2.28
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione (CID 17456984) is 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione?
The InChIKey is FDXZUGDSBYONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-17-7-1-2-8-18(17)21(27)25(20)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-22-19/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione?
2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione has a molecular weight of 364.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 17456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).