5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

C17H21BrN2O2 — CID 55723615

IUPAC5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cc3cc(Br)ccc3o2)C1
InChIInChI=1S/C17H21BrN2O2/c1-12-3-2-7-20(11-12)8-6-19-17(21)16-10-13-9-14(18)4-5-15(13)22-16/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,19,21)
InChIKeyLTTUWOCZOBXYAX-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.66
Rot. Bonds4

About 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide

5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 55723615) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID55723615
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cc3cc(Br)ccc3o2)C1
InChIInChI=1S/C17H21BrN2O2/c1-12-3-2-7-20(11-12)8-6-19-17(21)16-10-13-9-14(18)4-5-15(13)22-16/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,19,21)
InChIKeyLTTUWOCZOBXYAX-UHFFFAOYSA-N
XLogP3.66
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
N-[2-[3-(6,7-dimethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 59069237
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 78868141
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 55723615) is 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide is CC1CCCN(CCNC(=O)c2cc3cc(Br)ccc3o2)C1.
What is the InChIKey of 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is LTTUWOCZOBXYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-12-3-2-7-20(11-12)8-6-19-17(21)16-10-13-9-14(18)4-5-15(13)22-16/h4-5,9-10,12H,2-3,6-8,11H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55723615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).