1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

C13H16BrN3O3 — CID 43441331

IUPAC1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H16BrN3O3/c14-9-4-5-11(15-7-9)16-12(18)8-17-6-2-1-3-10(17)13(19)20/h4-5,7,10H,1-3,6,8H2,(H,19,20)(H,15,16,18)
InChIKeyKMJUIFXEMARDDH-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441331) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441331
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H16BrN3O3/c14-9-4-5-11(15-7-9)16-12(18)8-17-6-2-1-3-10(17)13(19)20/h4-5,7,10H,1-3,6,8H2,(H,19,20)(H,15,16,18)
InChIKeyKMJUIFXEMARDDH-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845
N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 47130960
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
CID 43441242
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441331) is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is O=C(CN1CCCCC1C(=O)O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is KMJUIFXEMARDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-9-4-5-11(15-7-9)16-12(18)8-17-6-2-1-3-10(17)13(19)20/h4-5,7,10H,1-3,6,8H2,(H,19,20)(H,15,16,18).
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).