2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide

C22H25N3O2 — CID 122186786

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O2/c23-21(26)19-8-4-7-18-15-25(22(27)20(18)19)14-17-9-11-24(12-10-17)13-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,23,26)
InChIKeySBMWFEAZZKPUOY-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.65
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide

2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122186786) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122186786
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O2/c23-21(26)19-8-4-7-18-15-25(22(27)20(18)19)14-17-9-11-24(12-10-17)13-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,23,26)
InChIKeySBMWFEAZZKPUOY-UHFFFAOYSA-N
XLogP2.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide (CID 122186786) is 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(CC1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is SBMWFEAZZKPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-21(26)19-8-4-7-18-15-25(22(27)20(18)19)14-17-9-11-24(12-10-17)13-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,23,26).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).