cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone

C18H28N4O2 — CID 16883585

IUPACcyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C18H28N4O2/c1-2-14-24-17-9-8-16(19-20-17)21-10-12-22(13-11-21)18(23)15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3
InChIKeySQQUGVCMDVVGPX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.49
Rot. Bonds5

About cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883585) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883585
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Namecyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C18H28N4O2/c1-2-14-24-17-9-8-16(19-20-17)21-10-12-22(13-11-21)18(23)15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3
InChIKeySQQUGVCMDVVGPX-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883585) is cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone is CCCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1.
What is the InChIKey of cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is SQQUGVCMDVVGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-14-24-17-9-8-16(19-20-17)21-10-12-22(13-11-21)18(23)15-6-4-3-5-7-15/h8-9,15H,2-7,10-14H2,1H3.
What are the key properties of cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6-propoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).