2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

C20H23BrN4O3 — CID 37340654

IUPAC2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1)Nc1ccccc1
InChIInChI=1S/C20H23BrN4O3/c21-15-6-7-20(28)25(12-15)14-19(27)23-17-8-10-24(11-9-17)13-18(26)22-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2,(H,22,26)(H,23,27)
InChIKeyIWYNMVRDKMZRNU-UHFFFAOYSA-N
MW447.33 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 37340654) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID37340654
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1)Nc1ccccc1
InChIInChI=1S/C20H23BrN4O3/c21-15-6-7-20(28)25(12-15)14-19(27)23-17-8-10-24(11-9-17)13-18(26)22-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2,(H,22,26)(H,23,27)
InChIKeyIWYNMVRDKMZRNU-UHFFFAOYSA-N
XLogP1.83
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 47028067
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CID 60559680
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
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
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-(4-bromophenyl)sulfanylpropanamide
CID 55832851
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
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 37340654) is 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is IWYNMVRDKMZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c21-15-6-7-20(28)25(12-15)14-19(27)23-17-8-10-24(11-9-17)13-18(26)22-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 447.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 37340654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).