2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide

C15H19N3O2 — CID 122186790

IUPAC2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C15H19N3O2/c1-17-7-5-11(6-8-17)18-9-10-3-2-4-12(14(16)19)13(10)15(18)20/h2-4,11H,5-9H2,1H3,(H2,16,19)
InChIKeyBRGXBMWHIKYUSN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.84
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide

2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122186790) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122186790
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C15H19N3O2/c1-17-7-5-11(6-8-17)18-9-10-3-2-4-12(14(16)19)13(10)15(18)20/h2-4,11H,5-9H2,1H3,(H2,16,19)
InChIKeyBRGXBMWHIKYUSN-UHFFFAOYSA-N
XLogP0.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide (CID 122186790) is 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide is CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is BRGXBMWHIKYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-5-11(6-8-17)18-9-10-3-2-4-12(14(16)19)13(10)15(18)20/h2-4,11H,5-9H2,1H3,(H2,16,19).
What are the key properties of 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide?
2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).