N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide

C17H19BrN2O3 — CID 49264037

IUPACN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1
InChIInChI=1S/C17H19BrN2O3/c1-11(21)19(2)14-5-7-20(8-6-14)17(22)16-10-12-9-13(18)3-4-15(12)23-16/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyAZBFIYGBUFFESU-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.28
Rot. Bonds2

About N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide

N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 49264037) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
PubChem CID49264037
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1
InChIInChI=1S/C17H19BrN2O3/c1-11(21)19(2)14-5-7-20(8-6-14)17(22)16-10-12-9-13(18)3-4-15(12)23-16/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyAZBFIYGBUFFESU-UHFFFAOYSA-N
XLogP3.28
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119441290
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 84576524
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 46437678
(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917664

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide (CID 49264037) is N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is AZBFIYGBUFFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11(21)19(2)14-5-7-20(8-6-14)17(22)16-10-12-9-13(18)3-4-15(12)23-16/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 379.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 49264037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).