2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid

C14H17BrN2O4 — CID 62689220

IUPAC2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-4-12(18)17(8-11)9-13(19)16-5-1-2-10(7-16)6-14(20)21/h3-4,8,10H,1-2,5-7,9H2,(H,20,21)
InChIKeyGPYWOSPTXODQQP-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid

2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid (PubChem CID 62689220) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
PubChem CID62689220
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-4-12(18)17(8-11)9-13(19)16-5-1-2-10(7-16)6-14(20)21/h3-4,8,10H,1-2,5-7,9H2,(H,20,21)
InChIKeyGPYWOSPTXODQQP-UHFFFAOYSA-N
XLogP1.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 43245238
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 43245239
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 43356091
Methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 43406877
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 61320199
5-Bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62357949
2-[1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidin-3-yl]acetic acid
CID 62689569
2-[1-(1-Methyl-2-oxopyridine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62690241
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043832
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123622
6-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylhexanoic acid
CID 64366930
(2S)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 66264539

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid (CID 62689220) is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1.
What is the InChIKey of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is GPYWOSPTXODQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-11-3-4-12(18)17(8-11)9-13(19)16-5-1-2-10(7-16)6-14(20)21/h3-4,8,10H,1-2,5-7,9H2,(H,20,21).
What are the key properties of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 357.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).