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

C19H20FN3O2 — CID 136564153

IUPAC(7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCN(C(=O)c3ccc(F)c4occc34)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-13-10-21-23(11-13)12-14-4-7-22(8-5-14)19(24)16-2-3-17(20)18-15(16)6-9-25-18/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3
InChIKeyJMBWBKARZIDHHG-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.63
Rot. Bonds3

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

(7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 136564153) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID136564153
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCN(C(=O)c3ccc(F)c4occc34)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-13-10-21-23(11-13)12-14-4-7-22(8-5-14)19(24)16-2-3-17(20)18-15(16)6-9-25-18/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3
InChIKeyJMBWBKARZIDHHG-UHFFFAOYSA-N
XLogP3.63
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 136564153) is (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCN(C(=O)c3ccc(F)c4occc34)CC2)c1.
What is the InChIKey of (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JMBWBKARZIDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-10-21-23(11-13)12-14-4-7-22(8-5-14)19(24)16-2-3-17(20)18-15(16)6-9-25-18/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 341.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 136564153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).