1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

C15H19BrN2O3 — CID 104597873

IUPAC1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-15(13(19)20)8-2-3-9-18(15)14(21)17-10-11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyGBWAEUFTAOCYIW-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.99
Rot. Bonds3

About 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597873) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597873
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-15(13(19)20)8-2-3-9-18(15)14(21)17-10-11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyGBWAEUFTAOCYIW-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-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

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113431054
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595385
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 107614592
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597873) is 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is GBWAEUFTAOCYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(13(19)20)8-2-3-9-18(15)14(21)17-10-11-4-6-12(16)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).