5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one

C14H18Br2N2O2 — CID 63378552

IUPAC5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1c(Br)cc(Br)cc1CNC1CCC(=O)NC1
InChIInChI=1S/C14H18Br2N2O2/c1-2-20-14-9(5-10(15)6-12(14)16)7-17-11-3-4-13(19)18-8-11/h5-6,11,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyLYPCVRQMUKGXLM-UHFFFAOYSA-N
MW406.12 g/mol
LogP2.98
Rot. Bonds5

About 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one

5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 63378552) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
PubChem CID63378552
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
SMILESCCOc1c(Br)cc(Br)cc1CNC1CCC(=O)NC1
InChIInChI=1S/C14H18Br2N2O2/c1-2-20-14-9(5-10(15)6-12(14)16)7-17-11-3-4-13(19)18-8-11/h5-6,11,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyLYPCVRQMUKGXLM-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dibromo-4-ethoxyphenyl)methylamino]pyrrolidin-2-one
CID 106184541
4-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62320717
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222615
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
1-cyclohexyl-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]methanamine
CID 43220452
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602679
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one (CID 63378552) is 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one is CCOc1c(Br)cc(Br)cc1CNC1CCC(=O)NC1.
What is the InChIKey of 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is LYPCVRQMUKGXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-2-20-14-9(5-10(15)6-12(14)16)7-17-11-3-4-13(19)18-8-11/h5-6,11,17H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one?
5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 406.12 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 63378552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).