4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid

C15H23N3O4 — CID 82218661

IUPAC4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
SMILESCN1CCN(Cc2cc(=O)c(O)cn2CCCC(=O)O)CC1
InChIInChI=1S/C15H23N3O4/c1-16-5-7-17(8-6-16)10-12-9-13(19)14(20)11-18(12)4-2-3-15(21)22/h9,11,20H,2-8,10H2,1H3,(H,21,22)
InChIKeyCQOWAAVUINDQAR-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.17
Rot. Bonds6

About 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid

4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid (PubChem CID 82218661) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
PubChem CID82218661
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
SMILESCN1CCN(Cc2cc(=O)c(O)cn2CCCC(=O)O)CC1
InChIInChI=1S/C15H23N3O4/c1-16-5-7-17(8-6-16)10-12-9-13(19)14(20)11-18(12)4-2-3-15(21)22/h9,11,20H,2-8,10H2,1H3,(H,21,22)
InChIKeyCQOWAAVUINDQAR-UHFFFAOYSA-N
XLogP0.17
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid (CID 82218661) is 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid is CN1CCN(Cc2cc(=O)c(O)cn2CCCC(=O)O)CC1.
What is the InChIKey of 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The InChIKey is CQOWAAVUINDQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-16-5-7-17(8-6-16)10-12-9-13(19)14(20)11-18(12)4-2-3-15(21)22/h9,11,20H,2-8,10H2,1H3,(H,21,22).
What are the key properties of 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid has a molecular weight of 309.37 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82218661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).