2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone

C26H32N4O — CID 108753633

IUPAC2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C26H32N4O/c31-25(18-26-15-19-12-20(16-26)14-21(13-19)17-26)30-10-8-29(9-11-30)24-7-6-23(27-28-24)22-4-2-1-3-5-22/h1-7,19-21H,8-18H2
InChIKeyIXQIVXBCHKETIU-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.40
Rot. Bonds4

About 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 108753633) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID108753633
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C26H32N4O/c31-25(18-26-15-19-12-20(16-26)14-21(13-19)17-26)30-10-8-29(9-11-30)24-7-6-23(27-28-24)22-4-2-1-3-5-22/h1-7,19-21H,8-18H2
InChIKeyIXQIVXBCHKETIU-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122334104
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347159
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 108534538
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014
2-(1-adamantyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150012
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845
2-(1-adamantyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755299
N-[(2R)-butan-2-yl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 93155052
2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 93156348

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 108753633) is 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is IXQIVXBCHKETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c31-25(18-26-15-19-12-20(16-26)14-21(13-19)17-26)30-10-8-29(9-11-30)24-7-6-23(27-28-24)22-4-2-1-3-5-22/h1-7,19-21H,8-18H2.
What are the key properties of 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 416.57 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108753633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).