3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

C18H28N4O2 — CID 91911737

IUPAC3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(7-6-14-4-2-1-3-5-14)20-15-8-10-22(11-9-15)16-12-18(24)21-19-13-16/h12-15H,1-11H2,(H,20,23)(H,21,24)
InChIKeyHOPMGTKTAVYRBO-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.22
Rot. Bonds5

About 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 91911737) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID91911737
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C18H28N4O2/c23-17(7-6-14-4-2-1-3-5-14)20-15-8-10-22(11-9-15)16-12-18(24)21-19-13-16/h12-15H,1-11H2,(H,20,23)(H,21,24)
InChIKeyHOPMGTKTAVYRBO-UHFFFAOYSA-N
XLogP2.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (CID 91911737) is 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is O=C(CCC1CCCCC1)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is HOPMGTKTAVYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(7-6-14-4-2-1-3-5-14)20-15-8-10-22(11-9-15)16-12-18(24)21-19-13-16/h12-15H,1-11H2,(H,20,23)(H,21,24).
What are the key properties of 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91911737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).