2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone

C15H21N3O2 — CID 82345450

IUPAC2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone
SMILESNc1cccc2c1N(CC(=O)N1CCCCC1)CCO2
InChIInChI=1S/C15H21N3O2/c16-12-5-4-6-13-15(12)18(9-10-20-13)11-14(19)17-7-2-1-3-8-17/h4-6H,1-3,7-11,16H2
InChIKeyDTSAVAFJGDQJLR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone

2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone (PubChem CID 82345450) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone
PubChem CID82345450
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone
SMILESNc1cccc2c1N(CC(=O)N1CCCCC1)CCO2
InChIInChI=1S/C15H21N3O2/c16-12-5-4-6-13-15(12)18(9-10-20-13)11-14(19)17-7-2-1-3-8-17/h4-6H,1-3,7-11,16H2
InChIKeyDTSAVAFJGDQJLR-UHFFFAOYSA-N
XLogP1.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone (CID 82345450) is 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone is Nc1cccc2c1N(CC(=O)N1CCCCC1)CCO2.
What is the InChIKey of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone?
The InChIKey is DTSAVAFJGDQJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-5-4-6-13-15(12)18(9-10-20-13)11-14(19)17-7-2-1-3-8-17/h4-6H,1-3,7-11,16H2.
What are the key properties of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone?
2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 82345450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).