N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C23H22ClFN4O — CID 30362689

IUPACN-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C23H22ClFN4O/c24-19-5-1-16(2-6-19)15-26-23(30)18-11-13-29(14-12-18)22-10-9-21(27-28-22)17-3-7-20(25)8-4-17/h1-10,18H,11-15H2,(H,26,30)
InChIKeyLOGPTIBDRPERER-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.47
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30362689) has the molecular formula C23H22ClFN4O and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30362689
Molecular FormulaC23H22ClFN4O
Molecular Weight424.91 g/mol
Exact Mass424.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C23H22ClFN4O/c24-19-5-1-16(2-6-19)15-26-23(30)18-11-13-29(14-12-18)22-10-9-21(27-28-22)17-3-7-20(25)8-4-17/h1-10,18H,11-15H2,(H,26,30)
InChIKeyLOGPTIBDRPERER-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30362689) is N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is LOGPTIBDRPERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O/c24-19-5-1-16(2-6-19)15-26-23(30)18-11-13-29(14-12-18)22-10-9-21(27-28-22)17-3-7-20(25)8-4-17/h1-10,18H,11-15H2,(H,26,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30362689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).