2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid

C17H27N5O3 — CID 19602888

IUPAC2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCN(CCC3CCNCC3)CC2)nn1
InChIInChI=1S/C17H27N5O3/c23-17(24)13-25-16-2-1-15(19-20-16)22-11-9-21(10-12-22)8-5-14-3-6-18-7-4-14/h1-2,14,18H,3-13H2,(H,23,24)
InChIKeyQTLUQUXNVKFRPZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.45
Rot. Bonds7

About 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid

2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid (PubChem CID 19602888) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
PubChem CID19602888
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCN(CCC3CCNCC3)CC2)nn1
InChIInChI=1S/C17H27N5O3/c23-17(24)13-25-16-2-1-15(19-20-16)22-11-9-21(10-12-22)8-5-14-3-6-18-7-4-14/h1-2,14,18H,3-13H2,(H,23,24)
InChIKeyQTLUQUXNVKFRPZ-UHFFFAOYSA-N
XLogP0.45
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid?
The IUPAC name of 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid (CID 19602888) is 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid is O=C(O)COc1ccc(N2CCN(CCC3CCNCC3)CC2)nn1.
What is the InChIKey of 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid?
The InChIKey is QTLUQUXNVKFRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c23-17(24)13-25-16-2-1-15(19-20-16)22-11-9-21(10-12-22)8-5-14-3-6-18-7-4-14/h1-2,14,18H,3-13H2,(H,23,24).
What are the key properties of 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid?
2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid has a molecular weight of 349.44 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid is sourced from PubChem (CID 19602888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).