(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C18H21N3O2 — CID 71930782

About (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71930782) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 71930782
• Molecular Formula: C18H21N3O2
• Molecular Weight: 311.38 g/mol
• Exact Mass: 311.16
• IUPAC Name: (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: CC1c2ccccc2OC1C(=O)N1CCCC(c2ccn[nH]2)C1
• InChI: InChI=1S/C18H21N3O2/c1-12-14-6-2-3-7-16(14)23-17(12)18(22)21-10-4-5-13(11-21)15-8-9-19-20-15/h2-3,6-9,12-13,17H,4-5,10-11H2,1H3,(H,19,20)
• InChIKey: YTSDLUBVJXQEBT-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.38
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 71930782) is (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CC1c2ccccc2OC1C(=O)N1CCCC(c2ccn[nH]2)C1.

What is the InChIKey of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is YTSDLUBVJXQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-14-6-2-3-7-16(14)23-17(12)18(22)21-10-4-5-13(11-21)15-8-9-19-20-15/h2-3,6-9,12-13,17H,4-5,10-11H2,1H3,(H,19,20).

What are the key properties of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71930782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).