5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid

C16H24N2O3 — CID 39151101

IUPAC5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCCCC(=O)O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-13-7-10-17(11-8-13)14-5-6-15(19)18(12-14)9-3-2-4-16(20)21/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,21)
InChIKeyPNXNJPXEUUZSOG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.34
Rot. Bonds6

About 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid

5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid (PubChem CID 39151101) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
PubChem CID39151101
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCCCC(=O)O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-13-7-10-17(11-8-13)14-5-6-15(19)18(12-14)9-3-2-4-16(20)21/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,21)
InChIKeyPNXNJPXEUUZSOG-UHFFFAOYSA-N
XLogP2.34
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]acetic acid
CID 138491152
2-[1-[4-(Dimethylamino)but-2-enoyl]piperidin-4-yl]acetic acid
CID 138491154
1-[(2E,4E,6Z)-1-(dimethylamino)-2-methyl-1-oxoocta-2,4,6-trien-4-yl]piperidine-3-carboxylic acid;ethane
CID 143483997
1-(1-Methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
CID 151020406
3-[Methyl-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoyl]amino]propanoic acid
CID 39150929
3-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
CID 39151137
2,2-Dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
CID 39151144
4-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151151
5-[5-(Azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
CID 39151154
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 43355886
1-[3-(2-Oxopyridin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 43355898
(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 51888683

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid (CID 39151101) is 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid is CC1CCN(c2ccc(=O)n(CCCCC(=O)O)c2)CC1.
What is the InChIKey of 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The InChIKey is PNXNJPXEUUZSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-7-10-17(11-8-13)14-5-6-15(19)18(12-14)9-3-2-4-16(20)21/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,21).
What are the key properties of 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 39151101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).