6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one

C16H23N3O2 — CID 103075519

IUPAC6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCN1CCCCC1CNCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H23N3O2/c1-19-7-3-2-4-13(19)10-17-9-12-5-6-15-14(8-12)18-16(20)11-21-15/h5-6,8,13,17H,2-4,7,9-11H2,1H3,(H,18,20)
InChIKeyYZIOKOCOTHCWIB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds4

About 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one

6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 103075519) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
PubChem CID103075519
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCN1CCCCC1CNCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H23N3O2/c1-19-7-3-2-4-13(19)10-17-9-12-5-6-15-14(8-12)18-16(20)11-21-15/h5-6,8,13,17H,2-4,7,9-11H2,1H3,(H,18,20)
InChIKeyYZIOKOCOTHCWIB-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2-hydroxycyclopentyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075647
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075747
6-[(3,3-dimethylbutylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075822
6-[(2-methylprop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075841
N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide
CID 103075401
6-[(prop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075246
6-[[3-(2-methoxyethoxy)propylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075356
6-[(3-methylsulfanylpropylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075592
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654861
6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075782

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one (CID 103075519) is 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one is CN1CCCCC1CNCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is YZIOKOCOTHCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-7-3-2-4-13(19)10-17-9-12-5-6-15-14(8-12)18-16(20)11-21-15/h5-6,8,13,17H,2-4,7,9-11H2,1H3,(H,18,20).
What are the key properties of 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one?
6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-methylpiperidin-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103075519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).