2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

C16H22N4O — CID 95313391

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H22N4O/c21-16(12-13-4-1-2-5-13)20-10-7-14(8-11-20)18-15-6-3-9-17-19-15/h1,3-4,6,9,13-14H,2,5,7-8,10-12H2,(H,18,19)/t13-/m1/s1
InChIKeyRVUCKOGGXZPXIV-CYBMUJFWSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (PubChem CID 95313391) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
PubChem CID95313391
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H22N4O/c21-16(12-13-4-1-2-5-13)20-10-7-14(8-11-20)18-15-6-3-9-17-19-15/h1,3-4,6,9,13-14H,2,5,7-8,10-12H2,(H,18,19)/t13-/m1/s1
InChIKeyRVUCKOGGXZPXIV-CYBMUJFWSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 127300785
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 125136005
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 56780016
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
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (CID 95313391) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is O=C(C[C@@H]1C=CCC1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The InChIKey is RVUCKOGGXZPXIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(12-13-4-1-2-5-13)20-10-7-14(8-11-20)18-15-6-3-9-17-19-15/h1,3-4,6,9,13-14H,2,5,7-8,10-12H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 95313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).