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

C17H23N3O3 — CID 67194062

IUPAC2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C17H23N3O3/c1-23-10-9-19-7-5-13(6-8-19)20-11-12-3-2-4-14(16(18)21)15(12)17(20)22/h2-4,13H,5-11H2,1H3,(H2,18,21)
InChIKeyDYBBOUMPDJICSQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.85
Rot. Bonds5

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

2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 67194062) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID67194062
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
InChIInChI=1S/C17H23N3O3/c1-23-10-9-19-7-5-13(6-8-19)20-11-12-3-2-4-14(16(18)21)15(12)17(20)22/h2-4,13H,5-11H2,1H3,(H2,18,21)
InChIKeyDYBBOUMPDJICSQ-UHFFFAOYSA-N
XLogP0.85
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 67194062) is 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is COCCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is DYBBOUMPDJICSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-10-9-19-7-5-13(6-8-19)20-11-12-3-2-4-14(16(18)21)15(12)17(20)22/h2-4,13H,5-11H2,1H3,(H2,18,21).
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 67194062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).