2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one

C16H22N2O2 — CID 82339601

IUPAC2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CC3CCCCN3)cc2N(C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11-16(19)18(2)14-10-12(6-7-15(14)20-11)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyYIAYLNMCOMQBBF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds2

About 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one

2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 82339601) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID82339601
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CC3CCCCN3)cc2N(C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11-16(19)18(2)14-10-12(6-7-15(14)20-11)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyYIAYLNMCOMQBBF-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-prop-2-enyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339954
2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 116994900
2-ethyl-4-propyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339889
1-[2-ethyl-6-(piperidin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340588
1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 82500114
2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]-1,4-benzoxazin-3-one
CID 102819727
6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
CID 110790116
5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255670
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
CID 110783702
6-[2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110800158
2,2-dimethyl-6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82339550
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one (CID 82339601) is 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one is CC1Oc2ccc(CC3CCCCN3)cc2N(C)C1=O.
What is the InChIKey of 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is YIAYLNMCOMQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-16(19)18(2)14-10-12(6-7-15(14)20-11)9-13-5-3-4-8-17-13/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one?
2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 274.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).