1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone

C18H28N4O3 — CID 30773683

IUPAC1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-24-14-18(23)22-12-10-21(11-13-22)16-8-9-17(20-19-16)25-15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3
InChIKeyNIMCBGWVGIGTLJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.87
Rot. Bonds6

About 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone

1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone (PubChem CID 30773683) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone
PubChem CID30773683
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-24-14-18(23)22-12-10-21(11-13-22)16-8-9-17(20-19-16)25-15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3
InChIKeyNIMCBGWVGIGTLJ-UHFFFAOYSA-N
XLogP1.87
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone (CID 30773683) is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone?
The InChIKey is NIMCBGWVGIGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-24-14-18(23)22-12-10-21(11-13-22)16-8-9-17(20-19-16)25-15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3.
What are the key properties of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone?
1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone has a molecular weight of 348.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 30773683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).