3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide

C14H17N3O2 — CID 24937836

IUPAC3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
InChIKeyKISOFIKBJFDVKM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.49
Rot. Bonds2

About 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide

3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide (PubChem CID 24937836) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide
PubChem CID24937836
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
InChIKeyKISOFIKBJFDVKM-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide (CID 24937836) is 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2.
What is the InChIKey of 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide?
The InChIKey is KISOFIKBJFDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18).
What are the key properties of 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide?
3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).