3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide

C20H21N3O2 — CID 24937702

IUPAC3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2
InChIInChI=1S/C20H21N3O2/c21-19(24)17-3-1-2-15-12-23(20(25)18(15)17)16-6-4-13(5-7-16)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H2,21,24)
InChIKeySVLUTWSLJSIAFX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.41
Rot. Bonds3

About 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide

3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 24937702) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide
PubChem CID24937702
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2
InChIInChI=1S/C20H21N3O2/c21-19(24)17-3-1-2-15-12-23(20(25)18(15)17)16-6-4-13(5-7-16)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H2,21,24)
InChIKeySVLUTWSLJSIAFX-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide (CID 24937702) is 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2.
What is the InChIKey of 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is SVLUTWSLJSIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-19(24)17-3-1-2-15-12-23(20(25)18(15)17)16-6-4-13(5-7-16)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H2,21,24).
What are the key properties of 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide?
3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(4-piperidin-4-ylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).