2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid

C15H20N2O4 — CID 61009812

IUPAC2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1cc(C)c(C(=O)N2CCCCC2CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-7-10(2)16-14(20)13(9)15(21)17-6-4-3-5-11(17)8-12(18)19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyATSCURGDJBRDAK-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid

2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61009812) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61009812
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1cc(C)c(C(=O)N2CCCCC2CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-7-10(2)16-14(20)13(9)15(21)17-6-4-3-5-11(17)8-12(18)19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyATSCURGDJBRDAK-UHFFFAOYSA-N
XLogP1.46
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid (CID 61009812) is 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid is Cc1cc(C)c(C(=O)N2CCCCC2CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is ATSCURGDJBRDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-10(2)16-14(20)13(9)15(21)17-6-4-3-5-11(17)8-12(18)19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).