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

C21H20N4O4 — CID 108551944

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H20N4O4/c26-18(13-25-20(28)16-5-1-2-6-17(16)21(25)29)23-15-7-10-24(11-8-15)19(27)14-4-3-9-22-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,23,26)
InChIKeyAWTOBKVDMATOIV-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.10
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108551944) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108551944
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H20N4O4/c26-18(13-25-20(28)16-5-1-2-6-17(16)21(25)29)23-15-7-10-24(11-8-15)19(27)14-4-3-9-22-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,23,26)
InChIKeyAWTOBKVDMATOIV-UHFFFAOYSA-N
XLogP1.10
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.10
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

2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 108556047
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 108551944) is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is AWTOBKVDMATOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18(13-25-20(28)16-5-1-2-6-17(16)21(25)29)23-15-7-10-24(11-8-15)19(27)14-4-3-9-22-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,23,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 1.10, 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-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108551944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).