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

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Related Compounds

4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82232965
piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
CID 82340061
(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone
CID 82341426
(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one
CID 51713867
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
CID 64866818
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82025543
phenyl(piperidin-2-yl)methanone
CID 19772085
N-[4-(piperidine-2-carbonyl)phenyl]ethanesulfonamide
CID 64868078
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186

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).