cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C21H33N5O — CID 18584530

IUPACcyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C21H33N5O/c1-17-7-5-6-12-26(17)20-11-10-19(22-23-20)24-13-15-25(16-14-24)21(27)18-8-3-2-4-9-18/h10-11,17-18H,2-9,12-16H2,1H3
InChIKeyHSDGVIABGRAVRB-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.08
Rot. Bonds3

About cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 18584530) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID18584530
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Namecyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C21H33N5O/c1-17-7-5-6-12-26(17)20-11-10-19(22-23-20)24-13-15-25(16-14-24)21(27)18-8-3-2-4-9-18/h10-11,17-18H,2-9,12-16H2,1H3
InChIKeyHSDGVIABGRAVRB-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 18584530) is cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is CC1CCCCN1c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)nn1.
What is the InChIKey of cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is HSDGVIABGRAVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-17-7-5-6-12-26(17)20-11-10-19(22-23-20)24-13-15-25(16-14-24)21(27)18-8-3-2-4-9-18/h10-11,17-18H,2-9,12-16H2,1H3.
What are the key properties of cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 18584530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).