N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C22H28N4O — CID 30360643

IUPACN-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H28N4O/c27-22(23-19-9-5-2-6-10-19)18-13-15-26(16-14-18)21-12-11-20(24-25-21)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,18-19H,2,5-6,9-10,13-16H2,(H,23,27)
InChIKeyZIBBOPSNNFMTBQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds4

About N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30360643) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30360643
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H28N4O/c27-22(23-19-9-5-2-6-10-19)18-13-15-26(16-14-18)21-12-11-20(24-25-21)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,18-19H,2,5-6,9-10,13-16H2,(H,23,27)
InChIKeyZIBBOPSNNFMTBQ-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120549
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 30360643) is N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ZIBBOPSNNFMTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(23-19-9-5-2-6-10-19)18-13-15-26(16-14-18)21-12-11-20(24-25-21)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,18-19H,2,5-6,9-10,13-16H2,(H,23,27).
What are the key properties of N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30360643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).