2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid

C13H15N3O4 — CID 167780535

IUPAC2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
SMILESCc1cccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)n1
InChIInChI=1S/C13H15N3O4/c1-9-3-2-4-10(14-9)11(17)15-5-7-16(8-6-15)12(18)13(19)20/h2-4H,5-8H2,1H3,(H,19,20)
InChIKeyHHKJQHXRECFERQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.24
Rot. Bonds1

About 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid

2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid (PubChem CID 167780535) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
PubChem CID167780535
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
SMILESCc1cccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)n1
InChIInChI=1S/C13H15N3O4/c1-9-3-2-4-10(14-9)11(17)15-5-7-16(8-6-15)12(18)13(19)20/h2-4H,5-8H2,1H3,(H,19,20)
InChIKeyHHKJQHXRECFERQ-UHFFFAOYSA-N
XLogP-0.24
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95351719
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid (CID 167780535) is 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid is Cc1cccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid?
The InChIKey is HHKJQHXRECFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9-3-2-4-10(14-9)11(17)15-5-7-16(8-6-15)12(18)13(19)20/h2-4H,5-8H2,1H3,(H,19,20).
What are the key properties of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid?
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid has a molecular weight of 277.28 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 167780535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).