(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone

C21H23N5O — CID 121114236

IUPAC(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
SMILESCc1nccn1-c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H23N5O/c1-16-22-11-14-26(16)20-8-7-19(23-24-20)21(27)25-12-9-18(10-13-25)15-17-5-3-2-4-6-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3
InChIKeyGAZCPLIXWBXXQJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.07
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone (PubChem CID 121114236) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
PubChem CID121114236
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
SMILESCc1nccn1-c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H23N5O/c1-16-22-11-14-26(16)20-8-7-19(23-24-20)21(27)25-12-9-18(10-13-25)15-17-5-3-2-4-6-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3
InChIKeyGAZCPLIXWBXXQJ-UHFFFAOYSA-N
XLogP3.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 121114370
[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121114369
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121114436
(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
CID 109115841
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone (CID 121114236) is (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone is Cc1nccn1-c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
The InChIKey is GAZCPLIXWBXXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-22-11-14-26(16)20-8-7-19(23-24-20)21(27)25-12-9-18(10-13-25)15-17-5-3-2-4-6-17/h2-8,11,14,18H,9-10,12-13,15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 121114236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).