2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 116994900

IUPAC2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(CC3CCCCN3)ccc2NC1=O
InChIInChI=1S/C15H20N2O2/c1-10-15(18)17-13-6-5-11(9-14(13)19-10)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyUXOYYWAHHONEDQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one

2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 116994900) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
PubChem CID116994900
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(CC3CCCCN3)ccc2NC1=O
InChIInChI=1S/C15H20N2O2/c1-10-15(18)17-13-6-5-11(9-14(13)19-10)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyUXOYYWAHHONEDQ-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117363131
2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339601
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82339524
2,2-dimethyl-6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82339550
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117490561
6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82231447
2-methyl-6-pyrrolidin-2-yl-4H-1,4-benzoxazin-3-one
CID 82279475
2-methyl-7-pyrrolidin-3-yl-4H-1,4-benzoxazin-3-one
CID 84795362
2-methyl-7-[3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 116994885
2-methyl-4-prop-2-enyl-6-(pyrrolidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339954
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one (CID 116994900) is 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one is CC1Oc2cc(CC3CCCCN3)ccc2NC1=O.
What is the InChIKey of 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is UXOYYWAHHONEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-15(18)17-13-6-5-11(9-14(13)19-10)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(piperidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116994900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).