2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid

C14H18N2O4 — CID 47003244

IUPAC2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCCCC2CC(=O)O)cc1=O
InChIInChI=1S/C14H18N2O4/c1-15-7-5-10(8-12(15)17)14(20)16-6-3-2-4-11(16)9-13(18)19/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,19)
InChIKeyVIVSJTMOXCVSCH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.85
Rot. Bonds3

About 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid

2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 47003244) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid
PubChem CID47003244
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCCCC2CC(=O)O)cc1=O
InChIInChI=1S/C14H18N2O4/c1-15-7-5-10(8-12(15)17)14(20)16-6-3-2-4-11(16)9-13(18)19/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,19)
InChIKeyVIVSJTMOXCVSCH-UHFFFAOYSA-N
XLogP0.85
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid (CID 47003244) is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid is Cn1ccc(C(=O)N2CCCCC2CC(=O)O)cc1=O.
What is the InChIKey of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is VIVSJTMOXCVSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-7-5-10(8-12(15)17)14(20)16-6-3-2-4-11(16)9-13(18)19/h5,7-8,11H,2-4,6,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 47003244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).