4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzoxazin 3 (4H)-one

HCID 56834482

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CO2
InChIKey: DTVFRLWEAOCNKH-UHFFFAOYSA-N
Molecular formula: C16H23N3O3
Average molar mass: 305.37 g/mol

Names & identifiers

Preferred name: 4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzoxazin 3 (4H)-one
IUPAC: 4-[2-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1,4-benzoxazin-3-one

Names & synonyms

SCHEMBL704556DTVFRLWEAOCNKH-UHFFFAOYSA-N4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzoxazin 3 (4H)-one4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzoxazin 3(4H)-one

Database identifiers

PubChem CID: 56834482

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 68 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 385

Related reactions

6 records

New reaction record

HRID 179635As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 255203As productuspto-grants-2011_01

HRID 828562As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1128882As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1131246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1644324As productuspto-grants-2012_02

Compound notes

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