4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide

C18H25BrN4O3 — CID 55637875

IUPAC4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H25BrN4O3/c19-14-6-7-16(24)23(12-14)13-17(25)21-8-10-22(11-9-21)18(26)20-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,26)
InChIKeyDHUDRWMIMJMDJB-UHFFFAOYSA-N
MW425.33 g/mol
LogP1.80
Rot. Bonds3

About 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide

4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 55637875) has the molecular formula C18H25BrN4O3 and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID55637875
Molecular FormulaC18H25BrN4O3
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC Name4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H25BrN4O3/c19-14-6-7-16(24)23(12-14)13-17(25)21-8-10-22(11-9-21)18(26)20-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,26)
InChIKeyDHUDRWMIMJMDJB-UHFFFAOYSA-N
XLogP1.80
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030591
methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylate
CID 78919229
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-bromopyridin-2-one
CID 37317226
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414346
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 47028067
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 94155096
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111425720
5-bromo-1-[2-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 126815764
3-[(2S)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]propanoic acid
CID 124699681
(2S)-2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopentylpropanamide
CID 8891311

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide (CID 55637875) is 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(Cn1cc(Br)ccc1=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is DHUDRWMIMJMDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O3/c19-14-6-7-16(24)23(12-14)13-17(25)21-8-10-22(11-9-21)18(26)20-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,20,26).
What are the key properties of 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 55637875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).