2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one

C17H22N2O3 — CID 82339617

IUPAC2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(=O)C3CCCCN3)cc2N(C)C1=O
InChIInChI=1S/C17H22N2O3/c1-3-14-17(21)19(2)13-10-11(7-8-15(13)22-14)16(20)12-6-4-5-9-18-12/h7-8,10,12,14,18H,3-6,9H2,1-2H3
InChIKeyUAKLVVOVSRGRCS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.15
Rot. Bonds3

About 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one

2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one (PubChem CID 82339617) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
PubChem CID82339617
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C(=O)C3CCCCN3)cc2N(C)C1=O
InChIInChI=1S/C17H22N2O3/c1-3-14-17(21)19(2)13-10-11(7-8-15(13)22-14)16(20)12-6-4-5-9-18-12/h7-8,10,12,14,18H,3-6,9H2,1-2H3
InChIKeyUAKLVVOVSRGRCS-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one (CID 82339617) is 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one is CCC1Oc2ccc(C(=O)C3CCCCN3)cc2N(C)C1=O.
What is the InChIKey of 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one?
The InChIKey is UAKLVVOVSRGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-14-17(21)19(2)13-10-11(7-8-15(13)22-14)16(20)12-6-4-5-9-18-12/h7-8,10,12,14,18H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one?
2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one has a molecular weight of 302.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).