2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

C15H22N4O2 — CID 95350486

IUPAC2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(11-13-3-2-10-21-13)19-8-5-12(6-9-19)17-14-4-1-7-16-18-14/h1,4,7,12-13H,2-3,5-6,8-11H2,(H,17,18)/t13-/m0/s1
InChIKeyJRQYWFZXHJZQBK-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.45
Rot. Bonds4

About 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (PubChem CID 95350486) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
PubChem CID95350486
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H22N4O2/c20-15(11-13-3-2-10-21-13)19-8-5-12(6-9-19)17-14-4-1-7-16-18-14/h1,4,7,12-13H,2-3,5-6,8-11H2,(H,17,18)/t13-/m0/s1
InChIKeyJRQYWFZXHJZQBK-ZDUSSCGKSA-N
XLogP1.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 127300785
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
CID 124619861
N-cyclopentylpyridazin-3-amine
CID 62482227
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119261129
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (CID 95350486) is 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is O=C(C[C@@H]1CCCO1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The InChIKey is JRQYWFZXHJZQBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(11-13-3-2-10-21-13)19-8-5-12(6-9-19)17-14-4-1-7-16-18-14/h1,4,7,12-13H,2-3,5-6,8-11H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 95350486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).