2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide

C22H24N2O2 — CID 86954354

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCCN(c4ccccc4)C3)coc2c1
InChIInChI=1S/C22H24N2O2/c1-16-9-10-20-17(15-26-21(20)12-16)13-22(25)23-18-6-5-11-24(14-18)19-7-3-2-4-8-19/h2-4,7-10,12,15,18H,5-6,11,13-14H2,1H3,(H,23,25)
InChIKeySCKLZYYGMRFFKQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.07
Rot. Bonds4

About 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide (PubChem CID 86954354) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
PubChem CID86954354
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCCN(c4ccccc4)C3)coc2c1
InChIInChI=1S/C22H24N2O2/c1-16-9-10-20-17(15-26-21(20)12-16)13-22(25)23-18-6-5-11-24(14-18)19-7-3-2-4-8-19/h2-4,7-10,12,15,18H,5-6,11,13-14H2,1H3,(H,23,25)
InChIKeySCKLZYYGMRFFKQ-UHFFFAOYSA-N
XLogP4.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
CID 126766814
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95135863
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853710
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide (CID 86954354) is 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide is Cc1ccc2c(CC(=O)NC3CCCN(c4ccccc4)C3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide?
The InChIKey is SCKLZYYGMRFFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-9-10-20-17(15-26-21(20)12-16)13-22(25)23-18-6-5-11-24(14-18)19-7-3-2-4-8-19/h2-4,7-10,12,15,18H,5-6,11,13-14H2,1H3,(H,23,25).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide is sourced from PubChem (CID 86954354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).