1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H18BrN3O4 — CID 122102538

IUPAC1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1
InChIInChI=1S/C14H18BrN3O4/c1-8-3-9(13(20)21)6-18(5-8)14(22)16-11-4-10(15)7-17(2)12(11)19/h4,7-9H,3,5-6H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyLYUXLPHFQKYXGR-UHFFFAOYSA-N
MW372.22 g/mol
LogP1.72
Rot. Bonds2

About 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102538) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102538
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1
InChIInChI=1S/C14H18BrN3O4/c1-8-3-9(13(20)21)6-18(5-8)14(22)16-11-4-10(15)7-17(2)12(11)19/h4,7-9H,3,5-6H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyLYUXLPHFQKYXGR-UHFFFAOYSA-N
XLogP1.72
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid 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

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-methylazetidine-1-carboxamide
CID 100666015
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
1-[(4-bromo-2-fluoro-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103007
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102647
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967
1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219
1-[[5-chloro-2-(trifluoromethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103113
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102538) is 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cc(Br)cn(C)c2=O)C1.
What is the InChIKey of 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LYUXLPHFQKYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c1-8-3-9(13(20)21)6-18(5-8)14(22)16-11-4-10(15)7-17(2)12(11)19/h4,7-9H,3,5-6H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).