1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

C15H19BrN2O4 — CID 122077474

IUPAC1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19BrN2O4/c1-9-7-11(16)8-12(22-2)13(9)17-15(21)18-5-3-10(4-6-18)14(19)20/h7-8,10H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySZTFVKXNPQBVBO-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.09
Rot. Bonds3

About 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122077474) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122077474
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Name1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19BrN2O4/c1-9-7-11(16)8-12(22-2)13(9)17-15(21)18-5-3-10(4-6-18)14(19)20/h7-8,10H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySZTFVKXNPQBVBO-UHFFFAOYSA-N
XLogP3.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480631
N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60590217
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090037
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-[(4-bromo-2-methylnaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087002
1-[(5-methoxycarbonyl-2,4-dimethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122091208
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43168350
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122077474) is 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is COc1cc(Br)cc(C)c1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SZTFVKXNPQBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-9-7-11(16)8-12(22-2)13(9)17-15(21)18-5-3-10(4-6-18)14(19)20/h7-8,10H,3-6H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 371.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122077474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).