3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one

C13H17BrN2O2 — CID 62094837

IUPAC3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(Br)cc1CNC1CCCNC1=O
InChIInChI=1S/C13H17BrN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-11-3-2-6-15-13(11)17/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyVYACBPJPUSJBIZ-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.83
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one

3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62094837) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
PubChem CID62094837
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(Br)cc1CNC1CCCNC1=O
InChIInChI=1S/C13H17BrN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-11-3-2-6-15-13(11)17/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyVYACBPJPUSJBIZ-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(5-bromo-2-fluorophenyl)methylamino]azepan-2-one;hydrochloride
CID 47185904
3-[(4-bromo-2-fluorophenyl)methylamino]azepan-2-one
CID 43688042
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43324022
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840429

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one (CID 62094837) is 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one is COc1ccc(Br)cc1CNC1CCCNC1=O.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is VYACBPJPUSJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-12-5-4-10(14)7-9(12)8-16-11-3-2-6-15-13(11)17/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,15,17).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one?
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 313.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).