N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H20N2O3 — CID 106995349

IUPACN-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CC(NC(=O)C2COc3ccccc3O2)CCN1
InChIInChI=1S/C15H20N2O3/c1-10-8-11(6-7-16-10)17-15(18)14-9-19-12-4-2-3-5-13(12)20-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyXCIOZIFXGPOICW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 106995349) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID106995349
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1CC(NC(=O)C2COc3ccccc3O2)CCN1
InChIInChI=1S/C15H20N2O3/c1-10-8-11(6-7-16-10)17-15(18)14-9-19-12-4-2-3-5-13(12)20-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18)
InChIKeyXCIOZIFXGPOICW-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120676420
3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66033099
N-(2-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106995393
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
(3S)-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94191023
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
(3S)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18532863
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114955639
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 106995349) is N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1CC(NC(=O)C2COc3ccccc3O2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is XCIOZIFXGPOICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-11(6-7-16-10)17-15(18)14-9-19-12-4-2-3-5-13(12)20-14/h2-5,10-11,14,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 106995349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).