1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid

C13H15BrN2O3 — CID 107275312

IUPAC1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
SMILESNC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1Br
InChIInChI=1S/C13H15BrN2O3/c14-11-7-9(1-2-10(11)12(15)17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H2,15,17)(H,18,19)
InChIKeyGSMWALAWWPDWMP-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid

1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid (PubChem CID 107275312) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
PubChem CID107275312
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
SMILESNC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1Br
InChIInChI=1S/C13H15BrN2O3/c14-11-7-9(1-2-10(11)12(15)17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H2,15,17)(H,18,19)
InChIKeyGSMWALAWWPDWMP-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopiperidin-1-yl)-2-bromobenzamide
CID 107280577
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
4-[3-(1-aminoethyl)piperidin-1-yl]-2-bromobenzamide
CID 107280735
2-bromo-4-(3-hydroxypyrrolidin-1-yl)benzenecarbothioamide
CID 107277757
2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
CID 153382110
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453
2-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 107277789
methyl 1-(3-bromo-4-carbamothioylphenyl)piperidine-3-carboxylate
CID 107278010
1-(3-bromo-4-carbamoylphenyl)-3-ethylpiperidine-3-carboxylic acid
CID 107275457
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
2-bromo-4-(4-tert-butylazepan-1-yl)benzenecarbothioamide
CID 107277858
4-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-bromobenzamide
CID 107280604

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid (CID 107275312) is 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid is NC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid?
The InChIKey is GSMWALAWWPDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-11-7-9(1-2-10(11)12(15)17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H2,15,17)(H,18,19).
What are the key properties of 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid?
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 107275312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).