2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide

C15H23N3O3 — CID 119428298

IUPAC2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)NC1CCCNC1
InChIInChI=1S/C15H23N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h10-12,16H,1-9H2,(H,17,19)
InChIKeyRMIJKFWILCKQAS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.03
Rot. Bonds3

About 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide (PubChem CID 119428298) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide
PubChem CID119428298
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)NC1CCCNC1
InChIInChI=1S/C15H23N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h10-12,16H,1-9H2,(H,17,19)
InChIKeyRMIJKFWILCKQAS-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide (CID 119428298) is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide is O=C(CN1C(=O)C2CCCCC2C1=O)NC1CCCNC1.
What is the InChIKey of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide?
The InChIKey is RMIJKFWILCKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-13(17-10-4-3-7-16-8-10)9-18-14(20)11-5-1-2-6-12(11)15(18)21/h10-12,16H,1-9H2,(H,17,19).
What are the key properties of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide?
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119428298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).