1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile

C15H13BrN2O2 — CID 49062183

IUPAC1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1
InChIInChI=1S/C15H13BrN2O2/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2
InChIKeyARLBAFKKHQIWHS-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.57
Rot. Bonds1

About 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile

1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 49062183) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
PubChem CID49062183
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1
InChIInChI=1S/C15H13BrN2O2/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2
InChIKeyARLBAFKKHQIWHS-UHFFFAOYSA-N
XLogP3.57
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
2-[4-(5-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 55648413
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
1-[4-bromo-2-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 103925258
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247587

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile (CID 49062183) is 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1.
What is the InChIKey of 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is ARLBAFKKHQIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-5-3-10(9-17)4-6-18/h1-2,7-8,10H,3-6H2.
What are the key properties of 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile?
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 333.19 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49062183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).