2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid

C15H20N2O3 — CID 104823678

IUPAC2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C(=O)CCC(C(=O)O)C1c1ccc(C)nc1
InChIInChI=1S/C15H20N2O3/c1-3-8-17-13(18)7-6-12(15(19)20)14(17)11-5-4-10(2)16-9-11/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyUKYUUQOFXHTZKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds4

About 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid

2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid (PubChem CID 104823678) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
PubChem CID104823678
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C(=O)CCC(C(=O)O)C1c1ccc(C)nc1
InChIInChI=1S/C15H20N2O3/c1-3-8-17-13(18)7-6-12(15(19)20)14(17)11-5-4-10(2)16-9-11/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyUKYUUQOFXHTZKM-UHFFFAOYSA-N
XLogP2.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 104823672
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
(2R,3S)-6-oxo-2-pyridin-3-yl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 95291784
1-ethyl-2-(6-methoxy-3-pyridinyl)-7-oxoazepane-3-carboxylic acid
CID 114938541
2-(4-methyl-1,3-thiazol-2-yl)-7-oxo-1-propylazepane-3-carboxylic acid
CID 104771717
4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020389
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
CID 95763670
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 95291535
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid (CID 104823678) is 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid is CCCN1C(=O)CCC(C(=O)O)C1c1ccc(C)nc1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid?
The InChIKey is UKYUUQOFXHTZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-17-13(18)7-6-12(15(19)20)14(17)11-5-4-10(2)16-9-11/h4-5,9,12,14H,3,6-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid?
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 104823678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).