2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide

C20H24N4O3 — CID 126766814

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc2c(CC(=O)NC3CCCN(c4cnn(C)c4)C3)coc2c1
InChIInChI=1S/C20H24N4O3/c1-23-12-16(10-21-23)24-7-3-4-15(11-24)22-20(25)8-14-13-27-19-9-17(26-2)5-6-18(14)19/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,22,25)
InChIKeyUFMXORDYNUOISM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.50
Rot. Bonds5

About 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide (PubChem CID 126766814) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
PubChem CID126766814
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc2c(CC(=O)NC3CCCN(c4cnn(C)c4)C3)coc2c1
InChIInChI=1S/C20H24N4O3/c1-23-12-16(10-21-23)24-7-3-4-15(11-24)22-20(25)8-14-13-27-19-9-17(26-2)5-6-18(14)19/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,22,25)
InChIKeyUFMXORDYNUOISM-UHFFFAOYSA-N
XLogP2.50
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide with MolForge

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Related Compounds

N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
2-(6-methoxy-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138605
2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 86954354
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809882
cis-(1S,3R)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677153
2-(6-methoxy-1-benzofuran-3-yl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452018
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
N-(4-aminocyclohexyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119476883
1-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126772468
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 111458326
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide (CID 126766814) is 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide is COc1ccc2c(CC(=O)NC3CCCN(c4cnn(C)c4)C3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide?
The InChIKey is UFMXORDYNUOISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-12-16(10-21-23)24-7-3-4-15(11-24)22-20(25)8-14-13-27-19-9-17(26-2)5-6-18(14)19/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 126766814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).