1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide

C19H24N4O — CID 121118534

IUPAC1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NC(C)c3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O/c1-14-10-11-18(22-21-14)23-12-6-9-17(13-23)19(24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,24)
InChIKeySTJKHMLEYRKBKL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.88
Rot. Bonds4

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

1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 121118534) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID121118534
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NC(C)c3ccccc3)C2)nn1
InChIInChI=1S/C19H24N4O/c1-14-10-11-18(22-21-14)23-12-6-9-17(13-23)19(24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,24)
InChIKeySTJKHMLEYRKBKL-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 95069334
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 53071041
(3S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889710
N-[1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785680
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889709
1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 121118622
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 121118534) is 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NC(C)c3ccccc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is STJKHMLEYRKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-11-18(22-21-14)23-12-6-9-17(13-23)19(24)20-15(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17H,6,9,12-13H2,1-2H3,(H,20,24).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 121118534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).