6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

C17H25N3O2 — CID 82019372

IUPAC6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(N)cc2N(CCN2CCCCC2)C1=O
InChIInChI=1S/C17H25N3O2/c1-2-15-17(21)20(11-10-19-8-4-3-5-9-19)14-12-13(18)6-7-16(14)22-15/h6-7,12,15H,2-5,8-11,18H2,1H3
InChIKeyUGRPABBQXDLMPZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.26
Rot. Bonds4

About 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 82019372) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID82019372
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(N)cc2N(CCN2CCCCC2)C1=O
InChIInChI=1S/C17H25N3O2/c1-2-15-17(21)20(11-10-19-8-4-3-5-9-19)14-12-13(18)6-7-16(14)22-15/h6-7,12,15H,2-5,8-11,18H2,1H3
InChIKeyUGRPABBQXDLMPZ-UHFFFAOYSA-N
XLogP2.26
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 3314566
6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063465
4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
CID 82142313
2-ethyl-4-propyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339889
6-amino-2-[(3,4-dimethylphenyl)methyl]-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82229315
4-[2-(azepan-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one
CID 122176492
6-amino-2-phenyl-4-propyl-1,4-benzoxazin-3-one
CID 82022162
2-ethyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-7-amine
CID 82025387
4-(2-amino-2-methylpropyl)-6-tert-butyl-2-ethyl-1,4-benzoxazin-3-one
CID 82143232
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
7-amino-2-ethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82019360
ethyl 1-[2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperidine-3-carboxylate
CID 3237915

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 82019372) is 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is CCC1Oc2ccc(N)cc2N(CCN2CCCCC2)C1=O.
What is the InChIKey of 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is UGRPABBQXDLMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-15-17(21)20(11-10-19-8-4-3-5-9-19)14-12-13(18)6-7-16(14)22-15/h6-7,12,15H,2-5,8-11,18H2,1H3.
What are the key properties of 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).