[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C21H26ClN5O — CID 109124005

IUPAC[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)C1
InChIInChI=1S/C21H26ClN5O/c1-16-4-3-9-27(15-16)21(28)19-7-8-20(24-23-19)26-12-10-25(11-13-26)18-6-2-5-17(22)14-18/h2,5-8,14,16H,3-4,9-13,15H2,1H3
InChIKeyMGUGTZJTPNDUIK-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.33
Rot. Bonds3

About [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109124005) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109124005
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)C1
InChIInChI=1S/C21H26ClN5O/c1-16-4-3-9-27(15-16)21(28)19-7-8-20(24-23-19)26-12-10-25(11-13-26)18-6-2-5-17(22)14-18/h2,5-8,14,16H,3-4,9-13,15H2,1H3
InChIKeyMGUGTZJTPNDUIK-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108965472
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121114369
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109124005) is [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn2)C1.
What is the InChIKey of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MGUGTZJTPNDUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-16-4-3-9-27(15-16)21(28)19-7-8-20(24-23-19)26-12-10-25(11-13-26)18-6-2-5-17(22)14-18/h2,5-8,14,16H,3-4,9-13,15H2,1H3.
What are the key properties of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 399.93 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109124005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).