2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid

C14H18BrN3O3 — CID 61009845

IUPAC2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H18BrN3O3/c15-10-4-5-12(16-8-10)17-13(19)9-18-6-2-1-3-11(18)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21)(H,16,17,19)
InChIKeyFERWQLQNXKWCFM-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid

2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 61009845) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID61009845
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H18BrN3O3/c15-10-4-5-12(16-8-10)17-13(19)9-18-6-2-1-3-11(18)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21)(H,16,17,19)
InChIKeyFERWQLQNXKWCFM-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic 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

N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 47130960
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441331
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 61234995
(9aS)-N-(5-bromo-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97352884
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid (CID 61009845) is 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is FERWQLQNXKWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-10-4-5-12(16-8-10)17-13(19)9-18-6-2-1-3-11(18)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21)(H,16,17,19).
What are the key properties of 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 356.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).