2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

C20H28N2O3 — CID 111429617

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESCc1ccc2c(CC(=O)NCCCN3CCC(O)CC3)coc2c1C
InChIInChI=1S/C20H28N2O3/c1-14-4-5-18-16(13-25-20(18)15(14)2)12-19(24)21-8-3-9-22-10-6-17(23)7-11-22/h4-5,13,17,23H,3,6-12H2,1-2H3,(H,21,24)
InChIKeyOADXBKFFUSWQFG-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.56
Rot. Bonds6

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (PubChem CID 111429617) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
PubChem CID111429617
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESCc1ccc2c(CC(=O)NCCCN3CCC(O)CC3)coc2c1C
InChIInChI=1S/C20H28N2O3/c1-14-4-5-18-16(13-25-20(18)15(14)2)12-19(24)21-8-3-9-22-10-6-17(23)7-11-22/h4-5,13,17,23H,3,6-12H2,1-2H3,(H,21,24)
InChIKeyOADXBKFFUSWQFG-UHFFFAOYSA-N
XLogP2.56
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 9481437
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119642385
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 23804650
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (CID 111429617) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is Cc1ccc2c(CC(=O)NCCCN3CCC(O)CC3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The InChIKey is OADXBKFFUSWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-4-5-18-16(13-25-20(18)15(14)2)12-19(24)21-8-3-9-22-10-6-17(23)7-11-22/h4-5,13,17,23H,3,6-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 111429617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).