2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

C₁₈H₂₁N₃O₃ — CID 122186788

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122186788) has the molecular formula C₁₈H₂₁N₃O₃ and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
• PubChem CID: 122186788
• Molecular Formula: C₁₈H₂₁N₃O₃
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
• SMILES: NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CC3)CC1)C2
• InChI: InChI=1S/C18H21N3O3/c19-16(22)14-3-1-2-12-10-21(18(24)15(12)14)13-6-8-20(9-7-13)17(23)11-4-5-11/h1-3,11,13H,4-10H2,(H2,19,22)
• InChIKey: VUYFNAULJNANJS-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 83.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?

The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 122186788) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?

The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CC3)CC1)C2.

What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?

The InChIKey is VUYFNAULJNANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-16(22)14-3-1-2-12-10-21(18(24)15(12)14)13-6-8-20(9-7-13)17(23)11-4-5-11/h1-3,11,13H,4-10H2,(H2,19,22).

What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122186788 — identifiers, structure, computed properties (public domain)

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