(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C18H18FN3O2 — CID 138027057

IUPAC(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCN(C(=O)c3cc(F)cc4ccoc34)C2)cn1
InChIInChI=1S/C18H18FN3O2/c1-21-10-14(9-20-21)13-3-2-5-22(11-13)18(23)16-8-15(19)7-12-4-6-24-17(12)16/h4,6-10,13H,2-3,5,11H2,1H3
InChIKeyHRWJNDTXMNCZEX-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.33
Rot. Bonds2

About (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 138027057) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID138027057
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCN(C(=O)c3cc(F)cc4ccoc34)C2)cn1
InChIInChI=1S/C18H18FN3O2/c1-21-10-14(9-20-21)13-3-2-5-22(11-13)18(23)16-8-15(19)7-12-4-6-24-17(12)16/h4,6-10,13H,2-3,5,11H2,1H3
InChIKeyHRWJNDTXMNCZEX-UHFFFAOYSA-N
XLogP3.33
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 138027057) is (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cn1cc(C2CCCN(C(=O)c3cc(F)cc4ccoc34)C2)cn1.
What is the InChIKey of (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is HRWJNDTXMNCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-21-10-14(9-20-21)13-3-2-5-22(11-13)18(23)16-8-15(19)7-12-4-6-24-17(12)16/h4,6-10,13H,2-3,5,11H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 327.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-7-yl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 138027057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).