2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

C20H19N3O4S — CID 108551988

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H19N3O4S/c24-17(12-23-18(25)14-4-1-2-5-15(14)19(23)26)21-13-7-9-22(10-8-13)20(27)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2,(H,21,24)
InChIKeyORZBANBOKHHUMK-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.77
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108551988) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID108551988
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H19N3O4S/c24-17(12-23-18(25)14-4-1-2-5-15(14)19(23)26)21-13-7-9-22(10-8-13)20(27)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2,(H,21,24)
InChIKeyORZBANBOKHHUMK-UHFFFAOYSA-N
XLogP1.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39145647

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (CID 108551988) is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is ORZBANBOKHHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-17(12-23-18(25)14-4-1-2-5-15(14)19(23)26)21-13-7-9-22(10-8-13)20(27)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108551988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).