1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone

C20H23N5O2 — CID 70761103

IUPAC1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
SMILESO=C(COc1ccc2nncn2n1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C20H23N5O2/c26-20(14-27-19-12-11-18-22-21-15-25(18)23-19)24-13-5-4-8-17(24)10-9-16-6-2-1-3-7-16/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2
InChIKeyWKDFGJRZGPOMHL-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone

1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone (PubChem CID 70761103) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
PubChem CID70761103
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
SMILESO=C(COc1ccc2nncn2n1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C20H23N5O2/c26-20(14-27-19-12-11-18-22-21-15-25(18)23-19)24-13-5-4-8-17(24)10-9-16-6-2-1-3-7-16/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2
InChIKeyWKDFGJRZGPOMHL-UHFFFAOYSA-N
XLogP2.52
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone with MolForge

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Related Compounds

[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]ethanone
CID 97074344
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961
1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 95136428
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The IUPAC name of 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone (CID 70761103) is 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone.
What is the SMILES notation for 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The canonical SMILES for 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone is O=C(COc1ccc2nncn2n1)N1CCCCC1CCc1ccccc1.
What is the InChIKey of 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
The InChIKey is WKDFGJRZGPOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(14-27-19-12-11-18-22-21-15-25(18)23-19)24-13-5-4-8-17(24)10-9-16-6-2-1-3-7-16/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2.
What are the key properties of 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone?
1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone is sourced from PubChem (CID 70761103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).