1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone

C17H24N2O2 — CID 82260944

IUPAC1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc3c(c2)NCC(C)O3)C1
InChIInChI=1S/C17H24N2O2/c1-12-4-3-7-19(10-12)11-16(20)14-5-6-17-15(8-14)18-9-13(2)21-17/h5-6,8,12-13,18H,3-4,7,9-11H2,1-2H3
InChIKeyZJNYVNANHAMOLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone

1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 82260944) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID82260944
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc3c(c2)NCC(C)O3)C1
InChIInChI=1S/C17H24N2O2/c1-12-4-3-7-19(10-12)11-16(20)14-5-6-17-15(8-14)18-9-13(2)21-17/h5-6,8,12-13,18H,3-4,7,9-11H2,1-2H3
InChIKeyZJNYVNANHAMOLC-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
2-(cycloheptylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261663
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 82260924
2-[2-hydroxyethyl(methyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260960
2-(2-hydroxyethylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261643
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
CID 82260983
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone (CID 82260944) is 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc3c(c2)NCC(C)O3)C1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is ZJNYVNANHAMOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-4-3-7-19(10-12)11-16(20)14-5-6-17-15(8-14)18-9-13(2)21-17/h5-6,8,12-13,18H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82260944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).