cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone

C16H24N4O2 — CID 126856072

IUPACcyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
SMILESCc1ccc(OCCN2CCN(C(=O)C3CCC3)CC2)nn1
InChIInChI=1S/C16H24N4O2/c1-13-5-6-15(18-17-13)22-12-11-19-7-9-20(10-8-19)16(21)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyWHYIBYQFQCLNIP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.11
Rot. Bonds5

About cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone (PubChem CID 126856072) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
PubChem CID126856072
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namecyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
SMILESCc1ccc(OCCN2CCN(C(=O)C3CCC3)CC2)nn1
InChIInChI=1S/C16H24N4O2/c1-13-5-6-15(18-17-13)22-12-11-19-7-9-20(10-8-19)16(21)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyWHYIBYQFQCLNIP-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 126861712
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
(2,5-dimethylpyrazol-3-yl)-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
CID 126861737
cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine
CID 126861782
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 97437195
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate
CID 71981364
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate
CID 71976414

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone (CID 126856072) is cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone is Cc1ccc(OCCN2CCN(C(=O)C3CCC3)CC2)nn1.
What is the InChIKey of cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
The InChIKey is WHYIBYQFQCLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-5-6-15(18-17-13)22-12-11-19-7-9-20(10-8-19)16(21)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3.
What are the key properties of cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126856072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).