[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone

C20H27N3O2 — CID 136539919

IUPAC[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
SMILESCCc1ccc(C2CCCCN2C(=O)C2CCc3cnn(C)c3C2)o1
InChIInChI=1S/C20H27N3O2/c1-3-16-9-10-19(25-16)17-6-4-5-11-23(17)20(24)14-7-8-15-13-21-22(2)18(15)12-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3
InChIKeyZAPZUOWJLYLXFQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.43
Rot. Bonds3

About [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone

[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone (PubChem CID 136539919) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
PubChem CID136539919
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
SMILESCCc1ccc(C2CCCCN2C(=O)C2CCc3cnn(C)c3C2)o1
InChIInChI=1S/C20H27N3O2/c1-3-16-9-10-19(25-16)17-6-4-5-11-23(17)20(24)14-7-8-15-13-21-22(2)18(15)12-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3
InChIKeyZAPZUOWJLYLXFQ-UHFFFAOYSA-N
XLogP3.43
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95633128
1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 167774935
(3aR,7aR)-2-[2-[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124730747
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 154737191
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-[5-(methylsulfonylmethyl)furan-2-yl]methanone
CID 96996576
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 164639845
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-ethylfuran-2-yl)azepan-1-yl]propan-1-one
CID 56794218
N-[1-[2-(5-ethylfuran-2-yl)piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015949
[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
tert-butyl 2-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)piperidine-1-carboxylate
CID 163358453
5-[3-[2-(5-ethylfuran-2-yl)azepan-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136527257

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone?
The IUPAC name of [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone (CID 136539919) is [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone.
What is the SMILES notation for [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone?
The canonical SMILES for [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone is CCc1ccc(C2CCCCN2C(=O)C2CCc3cnn(C)c3C2)o1.
What is the InChIKey of [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone?
The InChIKey is ZAPZUOWJLYLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-16-9-10-19(25-16)17-6-4-5-11-23(17)20(24)14-7-8-15-13-21-22(2)18(15)12-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3.
What are the key properties of [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone?
[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone is sourced from PubChem (CID 136539919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).