4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid

C18H27N3O4 — CID 39150918

IUPAC4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)NCCCC(=O)O)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14-6-10-20(11-7-14)15-4-5-17(23)21(13-15)12-8-16(22)19-9-2-3-18(24)25/h4-5,13-14H,2-3,6-12H2,1H3,(H,19,22)(H,24,25)
InChIKeyUKCIFJPATLACAZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.46
Rot. Bonds8

About 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid

4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid (PubChem CID 39150918) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
PubChem CID39150918
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)NCCCC(=O)O)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14-6-10-20(11-7-14)15-4-5-17(23)21(13-15)12-8-16(22)19-9-2-3-18(24)25/h4-5,13-14H,2-3,6-12H2,1H3,(H,19,22)(H,24,25)
InChIKeyUKCIFJPATLACAZ-UHFFFAOYSA-N
XLogP1.46
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The IUPAC name of 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid (CID 39150918) is 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The canonical SMILES for 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid is CC1CCN(c2ccc(=O)n(CCC(=O)NCCCC(=O)O)c2)CC1.
What is the InChIKey of 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
The InChIKey is UKCIFJPATLACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14-6-10-20(11-7-14)15-4-5-17(23)21(13-15)12-8-16(22)19-9-2-3-18(24)25/h4-5,13-14H,2-3,6-12H2,1H3,(H,19,22)(H,24,25).
What are the key properties of 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid?
4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid has a molecular weight of 349.43 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid is sourced from PubChem (CID 39150918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).