5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one

C14H17BrN2O2 — CID 66391444

IUPAC5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCC2Cc3cc(Br)ccc3O2)CN1
InChIInChI=1S/C14H17BrN2O2/c15-10-1-3-13-9(5-10)6-12(19-13)8-16-11-2-4-14(18)17-7-11/h1,3,5,11-12,16H,2,4,6-8H2,(H,17,18)
InChIKeyZYNLHFNNGNVNNM-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.62
Rot. Bonds3

About 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one

5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one (PubChem CID 66391444) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one
PubChem CID66391444
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one
SMILESO=C1CCC(NCC2Cc3cc(Br)ccc3O2)CN1
InChIInChI=1S/C14H17BrN2O2/c15-10-1-3-13-9(5-10)6-12(19-13)8-16-11-2-4-14(18)17-7-11/h1,3,5,11-12,16H,2,4,6-8H2,(H,17,18)
InChIKeyZYNLHFNNGNVNNM-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one 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

4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189407
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidine-2,6-dione
CID 66393201
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189567
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-amine
CID 82725682
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
CID 66392429
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluoroaniline
CID 66392578
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-2-amine
CID 113471695
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 66392786
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629610
5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
CID 66393969

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one (CID 66391444) is 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one is O=C1CCC(NCC2Cc3cc(Br)ccc3O2)CN1.
What is the InChIKey of 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one?
The InChIKey is ZYNLHFNNGNVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-10-1-3-13-9(5-10)6-12(19-13)8-16-11-2-4-14(18)17-7-11/h1,3,5,11-12,16H,2,4,6-8H2,(H,17,18).
What are the key properties of 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one?
5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one has a molecular weight of 325.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 66391444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).