1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide

C23H24N4O2 — CID 121118622

IUPAC1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)nn1
InChIInChI=1S/C23H24N4O2/c1-17-13-14-22(26-25-17)27-15-7-8-18(16-27)23(28)24-20-11-5-6-12-21(20)29-19-9-3-2-4-10-19/h2-6,9-14,18H,7-8,15-16H2,1H3,(H,24,28)
InChIKeyVODAAVRQLOTHRM-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.43
Rot. Bonds5

About 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide (PubChem CID 121118622) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
PubChem CID121118622
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)nn1
InChIInChI=1S/C23H24N4O2/c1-17-13-14-22(26-25-17)27-15-7-8-18(16-27)23(28)24-20-11-5-6-12-21(20)29-19-9-3-2-4-10-19/h2-6,9-14,18H,7-8,15-16H2,1H3,(H,24,28)
InChIKeyVODAAVRQLOTHRM-UHFFFAOYSA-N
XLogP4.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 90514602
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 41409741
N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118520
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118688
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
N-(2-methyl-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118614

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide (CID 121118622) is 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3ccccc3Oc3ccccc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The InChIKey is VODAAVRQLOTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-13-14-22(26-25-17)27-15-7-8-18(16-27)23(28)24-20-11-5-6-12-21(20)29-19-9-3-2-4-10-19/h2-6,9-14,18H,7-8,15-16H2,1H3,(H,24,28).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121118622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).