6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide

C23H30N4O — CID 121028303

IUPAC6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C23H30N4O/c28-23(24-20-9-5-2-6-10-20)21-11-12-22(26-25-21)27-15-13-19(14-16-27)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,19-20H,2,5-6,9-10,13-17H2,(H,24,28)
InChIKeyJUNIQTRKWMCLLE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.00
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide (PubChem CID 121028303) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
PubChem CID121028303
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C23H30N4O/c28-23(24-20-9-5-2-6-10-20)21-11-12-22(26-25-21)27-15-13-19(14-16-27)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,19-20H,2,5-6,9-10,13-17H2,(H,24,28)
InChIKeyJUNIQTRKWMCLLE-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide (CID 121028303) is 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide?
The InChIKey is JUNIQTRKWMCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(24-20-9-5-2-6-10-20)21-11-12-22(26-25-21)27-15-13-19(14-16-27)17-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,19-20H,2,5-6,9-10,13-17H2,(H,24,28).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide is sourced from PubChem (CID 121028303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).