1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid

C14H17BrN2O4 — CID 63123622

IUPAC1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C14H17BrN2O4/c1-14(13(20)21)4-6-16(7-5-14)12(19)9-17-8-10(15)2-3-11(17)18/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyBFZGFEGCXRQAOQ-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.32
Rot. Bonds3

About 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid

1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123622) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123622
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C14H17BrN2O4/c1-14(13(20)21)4-6-16(7-5-14)12(19)9-17-8-10(15)2-3-11(17)18/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyBFZGFEGCXRQAOQ-UHFFFAOYSA-N
XLogP1.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]butanoic acid
CID 43360155
Methyl 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 43406877
Ethyl 1-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetyl]piperidine-4-carboxylate
CID 56391376
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825993
1-[2-(2-Oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 61320199
1-[2-(2-Methyl-6-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 62658200
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetic acid
CID 62689220
1-[2-(4-Methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 62961945
4-Methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
CID 63123644
4-Methyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123679
4-Ethyl-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 63125300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid (CID 63123622) is 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Cn2cc(Br)ccc2=O)CC1.
What is the InChIKey of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is BFZGFEGCXRQAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-14(13(20)21)4-6-16(7-5-14)12(19)9-17-8-10(15)2-3-11(17)18/h2-3,8H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).