3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

C21H26N4O — CID 11667458

IUPAC3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21-18(17-7-1-2-9-19(17)23-21)8-4-6-12-24-13-15-25(16-14-24)20-10-3-5-11-22-20/h1-3,5,7,9-11,18H,4,6,8,12-16H2,(H,23,26)
InChIKeyAHJOSYULWRUECL-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.11
Rot. Bonds6

About 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 11667458) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID11667458
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H26N4O/c26-21-18(17-7-1-2-9-19(17)23-21)8-4-6-12-24-13-15-25(16-14-24)20-10-3-5-11-22-20/h1-3,5,7,9-11,18H,4,6,8,12-16H2,(H,23,26)
InChIKeyAHJOSYULWRUECL-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (CID 11667458) is 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is AHJOSYULWRUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21-18(17-7-1-2-9-19(17)23-21)8-4-6-12-24-13-15-25(16-14-24)20-10-3-5-11-22-20/h1-3,5,7,9-11,18H,4,6,8,12-16H2,(H,23,26).
What are the key properties of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11667458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).