2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid

C19H27N5O4 — CID 70190543

IUPAC2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCC(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C19H27N5O4/c25-17(23-7-4-15(5-8-23)13-19(27)28)1-2-18(26)24-11-9-22(10-12-24)16-3-6-20-21-14-16/h3,6,14-15H,1-2,4-5,7-13H2,(H,27,28)
InChIKeyHWPMHMHDEZCYQK-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.62
Rot. Bonds6

About 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid

2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid (PubChem CID 70190543) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid
PubChem CID70190543
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCC(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C19H27N5O4/c25-17(23-7-4-15(5-8-23)13-19(27)28)1-2-18(26)24-11-9-22(10-12-24)16-3-6-20-21-14-16/h3,6,14-15H,1-2,4-5,7-13H2,(H,27,28)
InChIKeyHWPMHMHDEZCYQK-UHFFFAOYSA-N
XLogP0.62
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid (CID 70190543) is 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCC(=O)N2CCN(c3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid?
The InChIKey is HWPMHMHDEZCYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c25-17(23-7-4-15(5-8-23)13-19(27)28)1-2-18(26)24-11-9-22(10-12-24)16-3-6-20-21-14-16/h3,6,14-15H,1-2,4-5,7-13H2,(H,27,28).
What are the key properties of 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid?
2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid has a molecular weight of 389.46 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-oxo-4-(4-pyridazin-4-ylpiperazin-1-yl)butanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 70190543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).