6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one

C18H24N2O3 — CID 110683186

IUPAC6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)N3C(C)CCCC3C)cc2N(C)C1=O
InChIInChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)18(22)14-8-9-16-15(10-14)19(4)17(21)13(3)23-16/h8-13H,5-7H2,1-4H3
InChIKeyCLJGGGZBFZWHSQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds1

About 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one

6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 110683186) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID110683186
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)N3C(C)CCCC3C)cc2N(C)C1=O
InChIInChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)18(22)14-8-9-16-15(10-14)19(4)17(21)13(3)23-16/h8-13H,5-7H2,1-4H3
InChIKeyCLJGGGZBFZWHSQ-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one (CID 110683186) is 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)N3C(C)CCCC3C)cc2N(C)C1=O.
What is the InChIKey of 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is CLJGGGZBFZWHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-6-5-7-12(2)20(11)18(22)14-8-9-16-15(10-14)19(4)17(21)13(3)23-16/h8-13H,5-7H2,1-4H3.
What are the key properties of 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one?
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 316.40 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 110683186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).