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

C23H30N4O4 — CID 30773707

IUPAC[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(OC4CCCCC4)nn3)CC2)c(OC)c1
InChIInChI=1S/C23H30N4O4/c1-29-18-8-9-19(20(16-18)30-2)23(28)27-14-12-26(13-15-27)21-10-11-22(25-24-21)31-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3
InChIKeyJXPVIBVPMULIMY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.17
Rot. Bonds6

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

[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 30773707) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID30773707
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(OC4CCCCC4)nn3)CC2)c(OC)c1
InChIInChI=1S/C23H30N4O4/c1-29-18-8-9-19(20(16-18)30-2)23(28)27-14-12-26(13-15-27)21-10-11-22(25-24-21)31-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3
InChIKeyJXPVIBVPMULIMY-UHFFFAOYSA-N
XLogP3.17
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 30773694
(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145831
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 30773742
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 154757977
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone (CID 30773707) is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3ccc(OC4CCCCC4)nn3)CC2)c(OC)c1.
What is the InChIKey of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is JXPVIBVPMULIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-29-18-8-9-19(20(16-18)30-2)23(28)27-14-12-26(13-15-27)21-10-11-22(25-24-21)31-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3.
What are the key properties of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 426.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 30773707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).