2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide

C24H26N4O — CID 10992679

IUPAC2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H26N4O/c29-24(25-23-12-11-22(26-27-23)21-9-5-2-6-10-21)18-28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,20H,13-18H2,(H,25,27,29)
InChIKeyBABOAIFXWUHTHJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide (PubChem CID 10992679) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
PubChem CID10992679
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H26N4O/c29-24(25-23-12-11-22(26-27-23)21-9-5-2-6-10-21)18-28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,20H,13-18H2,(H,25,27,29)
InChIKeyBABOAIFXWUHTHJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide (CID 10992679) is 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide is O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
The InChIKey is BABOAIFXWUHTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(25-23-12-11-22(26-27-23)21-9-5-2-6-10-21)18-28-15-13-20(14-16-28)17-19-7-3-1-4-8-19/h1-12,20H,13-18H2,(H,25,27,29).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide is sourced from PubChem (CID 10992679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).