1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C14H16Br2N2O3 — CID 107601848

IUPAC1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H16Br2N2O3/c1-8-7-9(13(19)20)5-6-18(8)14(21)17-12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyBQPUXZOXLNZWSM-UHFFFAOYSA-N
MW420.10 g/mol
LogP3.93
Rot. Bonds2

About 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 107601848) has the molecular formula C14H16Br2N2O3 and a molecular weight of 420.10 g/mol. Its IUPAC name is 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID107601848
Molecular FormulaC14H16Br2N2O3
Molecular Weight420.10 g/mol
Exact Mass417.95
IUPAC Name1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H16Br2N2O3/c1-8-7-9(13(19)20)5-6-18(8)14(21)17-12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyBQPUXZOXLNZWSM-UHFFFAOYSA-N
XLogP3.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
1-[(2-bromo-4-fluorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743945
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
1-[(5-bromo-2-chlorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744270
1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107601975
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742320
1-[(3-bromothiophen-2-yl)methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744435
(2S)-1-[(2,6-dibromophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107601792
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106743843
1-(3-amino-4-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 107813364

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 107601848) is 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BQPUXZOXLNZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O3/c1-8-7-9(13(19)20)5-6-18(8)14(21)17-12-10(15)3-2-4-11(12)16/h2-4,8-9H,5-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 420.10 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 107601848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).