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

C22H28N4O2 — CID 30773694

IUPAC[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C22H28N4O2/c1-17-7-5-6-10-19(17)22(27)26-15-13-25(14-16-26)20-11-12-21(24-23-20)28-18-8-3-2-4-9-18/h5-7,10-12,18H,2-4,8-9,13-16H2,1H3
InChIKeyBUOSUXSGTLERQZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.46
Rot. Bonds4

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

[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 30773694) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID30773694
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C22H28N4O2/c1-17-7-5-6-10-19(17)22(27)26-15-13-25(14-16-26)20-11-12-21(24-23-20)28-18-8-3-2-4-9-18/h5-7,10-12,18H,2-4,8-9,13-16H2,1H3
InChIKeyBUOSUXSGTLERQZ-UHFFFAOYSA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30773707
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 30773742
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341679
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 30773694) is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is BUOSUXSGTLERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-7-5-6-10-19(17)22(27)26-15-13-25(14-16-26)20-11-12-21(24-23-20)28-18-8-3-2-4-9-18/h5-7,10-12,18H,2-4,8-9,13-16H2,1H3.
What are the key properties of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 30773694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).