3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile

C20H20N4O — CID 167920312

IUPAC3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile
SMILESN#Cc1cc(C2CC2)nnc1N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c21-13-17-12-18(14-6-7-14)22-23-20(17)24-10-8-16(9-11-24)19(25)15-4-2-1-3-5-15/h1-5,12,14,16H,6-11H2
InChIKeyJLKQFNCBGYAWQZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.32
Rot. Bonds4

About 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile

3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile (PubChem CID 167920312) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile
PubChem CID167920312
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile
SMILESN#Cc1cc(C2CC2)nnc1N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c21-13-17-12-18(14-6-7-14)22-23-20(17)24-10-8-16(9-11-24)19(25)15-4-2-1-3-5-15/h1-5,12,14,16H,6-11H2
InChIKeyJLKQFNCBGYAWQZ-UHFFFAOYSA-N
XLogP3.32
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-(2-(4-Isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
CID 132260806
6-{4-[(4-Cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 142616992
6-{4-[(4-Cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 132261124
6-{4-[(4-Cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 142616879
1-[4-[6-(Diethylamino)pyridazin-3-yl]phenyl]ethanone
CID 155536829
6-[4-(2-CYANOBENZOYL)PIPERAZIN-1-YL]-PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11373089
1-[4-(6-Pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone
CID 71528645
6-[4-[2-Oxo-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 132260844
6-[4-[2-[4-(1,1,1-Trifluoropropan-2-yl)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 132261299
6-[4-[2-[4-(2,2,2-Trifluoroethyl)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139548290
6-[4-[2-(4-Cyclopropyl-3,5-difluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 142616827
US11891378, Example 3
CID 142616853

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile (CID 167920312) is 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile is N#Cc1cc(C2CC2)nnc1N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile?
The InChIKey is JLKQFNCBGYAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-13-17-12-18(14-6-7-14)22-23-20(17)24-10-8-16(9-11-24)19(25)15-4-2-1-3-5-15/h1-5,12,14,16H,6-11H2.
What are the key properties of 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile?
3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperidin-1-yl)-6-cyclopropylpyridazine-4-carbonitrile is sourced from PubChem (CID 167920312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).