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

C15H20N2O4 — CID 62691283

IUPAC2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(C)c(C(=O)N2CCCC(CC(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-6-10(2)16-14(20)13(9)15(21)17-5-3-4-11(8-17)7-12(18)19/h6,11H,3-5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPIKITWXOWIWLGS-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.32
Rot. Bonds3

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

2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62691283) 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-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62691283
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(C)c(C(=O)N2CCCC(CC(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-6-10(2)16-14(20)13(9)15(21)17-5-3-4-11(8-17)7-12(18)19/h6,11H,3-5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPIKITWXOWIWLGS-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 120606347
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)azepan-4-yl]acetic acid
CID 120950036
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 75375735
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62691270
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45232640
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (CID 62691283) is 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid is Cc1cc(C)c(C(=O)N2CCCC(CC(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is PIKITWXOWIWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-6-10(2)16-14(20)13(9)15(21)17-5-3-4-11(8-17)7-12(18)19/h6,11H,3-5,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.32, 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-3-yl]acetic acid is sourced from PubChem (CID 62691283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).