2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C16H20N4O3 — CID 119908193

IUPAC2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CN3CCC(N)CC3)cc2C1=O
InChIInChI=1S/C16H20N4O3/c1-19-15(22)12-3-2-11(8-13(12)16(19)23)18-14(21)9-20-6-4-10(17)5-7-20/h2-3,8,10H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyOEGYGBLUPCHHMK-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.27
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 119908193) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID119908193
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CN3CCC(N)CC3)cc2C1=O
InChIInChI=1S/C16H20N4O3/c1-19-15(22)12-3-2-11(8-13(12)16(19)23)18-14(21)9-20-6-4-10(17)5-7-20/h2-3,8,10H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyOEGYGBLUPCHHMK-UHFFFAOYSA-N
XLogP0.27
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 119908193) is 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)CN3CCC(N)CC3)cc2C1=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is OEGYGBLUPCHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19-15(22)12-3-2-11(8-13(12)16(19)23)18-14(21)9-20-6-4-10(17)5-7-20/h2-3,8,10H,4-7,9,17H2,1H3,(H,18,21).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 119908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).