2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione

C18H22N4O3 — CID 95227998

IUPAC2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C18H22N4O3/c23-16-9-10-17(24)22(20-16)13-18(25)21-12-4-2-6-15(21)8-7-14-5-1-3-11-19-14/h1,3,5,9-11,15H,2,4,6-8,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyLOEWTUGFODWOPQ-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione

2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione (PubChem CID 95227998) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
PubChem CID95227998
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C18H22N4O3/c23-16-9-10-17(24)22(20-16)13-18(25)21-12-4-2-6-15(21)8-7-14-5-1-3-11-19-14/h1,3,5,9-11,15H,2,4,6-8,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyLOEWTUGFODWOPQ-OAHLLOKOSA-N
XLogP0.95
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96580901
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119065952
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione (CID 95227998) is 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCC[C@@H]1CCc1ccccn1.
What is the InChIKey of 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is LOEWTUGFODWOPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-9-10-17(24)22(20-16)13-18(25)21-12-4-2-6-15(21)8-7-14-5-1-3-11-19-14/h1,3,5,9-11,15H,2,4,6-8,12-13H2,(H,20,23)/t15-/m1/s1.
What are the key properties of 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione?
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 342.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 95227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).