2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione

C26H32FN3O2 — CID 118729047

IUPAC2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C26H32FN3O2/c27-24-12-6-3-9-20(24)19-29-17-13-21(14-18-29)28-15-7-1-2-8-16-30-25(31)22-10-4-5-11-23(22)26(30)32/h3-6,9-12,21,28H,1-2,7-8,13-19H2
InChIKeyITVZKRSKOYVPEM-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.24
Rot. Bonds10

About 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione

2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione (PubChem CID 118729047) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
PubChem CID118729047
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C26H32FN3O2/c27-24-12-6-3-9-20(24)19-29-17-13-21(14-18-29)28-15-7-1-2-8-16-30-25(31)22-10-4-5-11-23(22)26(30)32/h3-6,9-12,21,28H,1-2,7-8,13-19H2
InChIKeyITVZKRSKOYVPEM-UHFFFAOYSA-N
XLogP4.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione (CID 118729047) is 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
The InChIKey is ITVZKRSKOYVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c27-24-12-6-3-9-20(24)19-29-17-13-21(14-18-29)28-15-7-1-2-8-16-30-25(31)22-10-4-5-11-23(22)26(30)32/h3-6,9-12,21,28H,1-2,7-8,13-19H2.
What are the key properties of 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione?
2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione has a molecular weight of 437.56 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]hexyl]isoindole-1,3-dione is sourced from PubChem (CID 118729047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).