[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

C21H26FN5O — CID 121118403

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCN(c4ccccc4F)CC3)C2)nn1
InChIInChI=1S/C21H26FN5O/c1-16-8-9-20(24-23-16)27-10-4-5-17(15-27)21(28)26-13-11-25(12-14-26)19-7-3-2-6-18(19)22/h2-3,6-9,17H,4-5,10-15H2,1H3
InChIKeyUSEGRSGKPUSMRW-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.49
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121118403) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
PubChem CID121118403
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCN(c4ccccc4F)CC3)C2)nn1
InChIInChI=1S/C21H26FN5O/c1-16-8-9-20(24-23-16)27-10-4-5-17(15-27)21(28)26-13-11-25(12-14-26)19-7-3-2-6-18(19)22/h2-3,6-9,17H,4-5,10-15H2,1H3
InChIKeyUSEGRSGKPUSMRW-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600961
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121118403) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is Cc1ccc(N2CCCC(C(=O)N3CCN(c4ccccc4F)CC3)C2)nn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The InChIKey is USEGRSGKPUSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-16-8-9-20(24-23-16)27-10-4-5-17(15-27)21(28)26-13-11-25(12-14-26)19-7-3-2-6-18(19)22/h2-3,6-9,17H,4-5,10-15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121118403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).