2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid

C17H24N4O3 — CID 70189736

IUPAC2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c22-16(23)11-13-1-3-14(4-2-13)17(24)21-9-7-20(8-10-21)15-5-6-18-19-12-15/h5-6,12-14H,1-4,7-11H2,(H,22,23)
InChIKeyCPEDXTLZMADZOY-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid

2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid (PubChem CID 70189736) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid
PubChem CID70189736
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)N2CCN(c3ccnnc3)CC2)CC1
InChIInChI=1S/C17H24N4O3/c22-16(23)11-13-1-3-14(4-2-13)17(24)21-9-7-20(8-10-21)15-5-6-18-19-12-15/h5-6,12-14H,1-4,7-11H2,(H,22,23)
InChIKeyCPEDXTLZMADZOY-UHFFFAOYSA-N
XLogP1.41
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid (CID 70189736) is 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(C(=O)N2CCN(c3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid?
The InChIKey is CPEDXTLZMADZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(23)11-13-1-3-14(4-2-13)17(24)21-9-7-20(8-10-21)15-5-6-18-19-12-15/h5-6,12-14H,1-4,7-11H2,(H,22,23).
What are the key properties of 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid?
2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridazin-4-ylpiperazine-1-carbonyl)cyclohexyl]acetic acid is sourced from PubChem (CID 70189736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).