2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid

C17H26N4O2 — CID 19068125

IUPAC2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C2CCN(Nc3ccnnc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(23)11-13-1-3-14(4-2-13)15-6-9-21(10-7-15)20-16-5-8-18-19-12-16/h5,8,12-15H,1-4,6-7,9-11H2,(H,18,20)(H,22,23)
InChIKeyPFCRFEIZMHDRET-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.80
Rot. Bonds5

About 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid

2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid (PubChem CID 19068125) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid
PubChem CID19068125
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C2CCN(Nc3ccnnc3)CC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(23)11-13-1-3-14(4-2-13)15-6-9-21(10-7-15)20-16-5-8-18-19-12-16/h5,8,12-15H,1-4,6-7,9-11H2,(H,18,20)(H,22,23)
InChIKeyPFCRFEIZMHDRET-UHFFFAOYSA-N
XLogP2.80
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid (CID 19068125) is 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(C2CCN(Nc3ccnnc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid?
The InChIKey is PFCRFEIZMHDRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(23)11-13-1-3-14(4-2-13)15-6-9-21(10-7-15)20-16-5-8-18-19-12-16/h5,8,12-15H,1-4,6-7,9-11H2,(H,18,20)(H,22,23).
What are the key properties of 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid?
2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyridazin-4-ylamino)piperidin-4-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 19068125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).