N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide

C14H14N2O4 — CID 110463382

IUPACN-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
SMILESO=C1CCC(NC(=O)CC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-11(9-4-2-1-3-5-9)8-13(19)15-10-6-7-12(18)16-14(10)20/h1-5,10H,6-8H2,(H,15,19)(H,16,18,20)
InChIKeyRNMJNVHVLWGSGB-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.18
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide

N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide (PubChem CID 110463382) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
PubChem CID110463382
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
SMILESO=C1CCC(NC(=O)CC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-11(9-4-2-1-3-5-9)8-13(19)15-10-6-7-12(18)16-14(10)20/h1-5,10H,6-8H2,(H,15,19)(H,16,18,20)
InChIKeyRNMJNVHVLWGSGB-UHFFFAOYSA-N
XLogP0.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
2-(3-amino-2-pyridinyl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 155218183
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
CID 139617273
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide (CID 110463382) is N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide is O=C1CCC(NC(=O)CC(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide?
The InChIKey is RNMJNVHVLWGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11(9-4-2-1-3-5-9)8-13(19)15-10-6-7-12(18)16-14(10)20/h1-5,10H,6-8H2,(H,15,19)(H,16,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide?
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).