2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

C24H28N4O4 — CID 55517957

IUPAC2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O4/c29-19(25-17-4-2-1-3-5-17)13-27-10-8-18(9-11-27)26-20(30)14-28-23(31)21-15-6-7-16(12-15)22(21)24(28)32/h1-7,15-16,18,21-22H,8-14H2,(H,25,29)(H,26,30)
InChIKeyHIFGZYBKLMIJSK-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.01
Rot. Bonds6

About 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 55517957) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID55517957
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O4/c29-19(25-17-4-2-1-3-5-17)13-27-10-8-18(9-11-27)26-20(30)14-28-23(31)21-15-6-7-16(12-15)22(21)24(28)32/h1-7,15-16,18,21-22H,8-14H2,(H,25,29)(H,26,30)
InChIKeyHIFGZYBKLMIJSK-UHFFFAOYSA-N
XLogP1.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 98402292
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-fluorophenyl)acetamide
CID 7336702
N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98174099
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-naphthalen-2-ylacetamide
CID 98378552
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
2-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-phenylacetamide
CID 98221654
2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 98367090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 55517957) is 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is HIFGZYBKLMIJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-19(25-17-4-2-1-3-5-17)13-27-10-8-18(9-11-27)26-20(30)14-28-23(31)21-15-6-7-16(12-15)22(21)24(28)32/h1-7,15-16,18,21-22H,8-14H2,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 436.51 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55517957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).