(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C16H20N2O4 — CID 94152365

IUPAC(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C16H20N2O4/c1-18(16(20)11-6-7-15(19)17-8-11)9-12-10-21-13-4-2-3-5-14(13)22-12/h2-5,11-12H,6-10H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyFWNDHLFVFIAAOK-VXGBXAGGSA-N
MW304.35 g/mol
LogP0.81
Rot. Bonds3

About (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide

(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 94152365) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID94152365
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC(=O)NC1
InChIInChI=1S/C16H20N2O4/c1-18(16(20)11-6-7-15(19)17-8-11)9-12-10-21-13-4-2-3-5-14(13)22-12/h2-5,11-12H,6-10H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyFWNDHLFVFIAAOK-VXGBXAGGSA-N
XLogP0.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 113226309
9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983489
(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 95273672
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119683309
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 109400314
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 31985666
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methylacetamide
CID 99994544
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058373

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 94152365) is (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCC(=O)NC1.
What is the InChIKey of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is FWNDHLFVFIAAOK-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(16(20)11-6-7-15(19)17-8-11)9-12-10-21-13-4-2-3-5-14(13)22-12/h2-5,11-12H,6-10H2,1H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 94152365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).