3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

C15H20N2O4 — CID 115923902

IUPAC3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESCc1ccc(C(=O)N2CCC(CCC(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-10-2-4-12(14(20)16-10)15(21)17-8-6-11(7-9-17)3-5-13(18)19/h2,4,11H,3,5-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWHVJIVSSKBVFMM-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.40
Rot. Bonds4

About 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 115923902) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID115923902
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESCc1ccc(C(=O)N2CCC(CCC(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-10-2-4-12(14(20)16-10)15(21)17-8-6-11(7-9-17)3-5-13(18)19/h2,4,11H,3,5-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWHVJIVSSKBVFMM-UHFFFAOYSA-N
XLogP1.40
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917
N-benzyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 78893022
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (CID 115923902) is 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is Cc1ccc(C(=O)N2CCC(CCC(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is WHVJIVSSKBVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-2-4-12(14(20)16-10)15(21)17-8-6-11(7-9-17)3-5-13(18)19/h2,4,11H,3,5-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115923902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).