2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C22H35N5O — CID 121053451

IUPAC2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C22H35N5O/c1-18-9-11-25(12-10-18)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)17-19-5-3-2-4-6-19/h7-8,18-19H,2-6,9-17H2,1H3
InChIKeyTWVOHUSLOOIGBH-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.33
Rot. Bonds4

About 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 121053451) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID121053451
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C22H35N5O/c1-18-9-11-25(12-10-18)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)17-19-5-3-2-4-6-19/h7-8,18-19H,2-6,9-17H2,1H3
InChIKeyTWVOHUSLOOIGBH-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-(2-fluorophenyl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336125
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336175
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122336159
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 92889715
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133339123
2-(1H-indol-3-yl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053939

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 121053451) is 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is CC1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is TWVOHUSLOOIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-18-9-11-25(12-10-18)20-7-8-21(24-23-20)26-13-15-27(16-14-26)22(28)17-19-5-3-2-4-6-19/h7-8,18-19H,2-6,9-17H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 385.56 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121053451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).