3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one

C20H26N4O3 — CID 95855935

IUPAC3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
SMILESCc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CC3CCCC3)CC2)on1
InChIInChI=1S/C20H26N4O3/c1-13-10-17(27-23-13)16-12-18(25)21-22-20(16)15-6-8-24(9-7-15)19(26)11-14-4-2-3-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,21,25)
InChIKeyQHDMASAESYKESY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.02
Rot. Bonds4

About 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one

3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one (PubChem CID 95855935) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
PubChem CID95855935
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
SMILESCc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CC3CCCC3)CC2)on1
InChIInChI=1S/C20H26N4O3/c1-13-10-17(27-23-13)16-12-18(25)21-22-20(16)15-6-8-24(9-7-15)19(26)11-14-4-2-3-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,21,25)
InChIKeyQHDMASAESYKESY-UHFFFAOYSA-N
XLogP3.02
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one with MolForge

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Related Compounds

3-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
CID 46962332
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396
3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
CID 51584549
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554398
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 136798263

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one (CID 95855935) is 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one is Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CC3CCCC3)CC2)on1.
What is the InChIKey of 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The InChIKey is QHDMASAESYKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-10-17(27-23-13)16-12-18(25)21-22-20(16)15-6-8-24(9-7-15)19(26)11-14-4-2-3-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,21,25).
What are the key properties of 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one has a molecular weight of 370.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopentylacetyl)piperidin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 95855935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).