2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione

C24H25N5O2 — CID 155563892

IUPAC2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn(CC2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C24H25N5O2/c30-23-21-8-4-5-9-22(21)24(31)29(23)17-20-16-28(26-25-20)15-19-10-12-27(13-11-19)14-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2
InChIKeyFFRRFBBXYMQKCX-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.99
Rot. Bonds6

About 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione

2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione (PubChem CID 155563892) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
PubChem CID155563892
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn(CC2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C24H25N5O2/c30-23-21-8-4-5-9-22(21)24(31)29(23)17-20-16-28(26-25-20)15-19-10-12-27(13-11-19)14-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2
InChIKeyFFRRFBBXYMQKCX-UHFFFAOYSA-N
XLogP2.99
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione (CID 155563892) is 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cn(CC2CCN(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is FFRRFBBXYMQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23-21-8-4-5-9-22(21)24(31)29(23)17-20-16-28(26-25-20)15-19-10-12-27(13-11-19)14-18-6-2-1-3-7-18/h1-9,16,19H,10-15,17H2.
What are the key properties of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione?
2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 415.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 155563892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).