2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride

C18H27ClN2O3 — CID 120574644

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12-14(5-4-8-19-12)20-17(21)18(2,3)13-6-7-15-16(11-13)23-10-9-22-15;/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3,(H,20,21);1H
InChIKeyDEOMKROKNUNRBS-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.41
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (PubChem CID 120574644) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
PubChem CID120574644
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12-14(5-4-8-19-12)20-17(21)18(2,3)13-6-7-15-16(11-13)23-10-9-22-15;/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3,(H,20,21);1H
InChIKeyDEOMKROKNUNRBS-UHFFFAOYSA-N
XLogP2.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575309
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
2-methyl-N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylpropanamide;hydrochloride
CID 120576386
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760103
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-methylpropanamide
CID 129403449
6-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120726236
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 99809011
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
(2S,4S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120628514

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (CID 120574644) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is CC1NCCCC1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The InChIKey is DEOMKROKNUNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-12-14(5-4-8-19-12)20-17(21)18(2,3)13-6-7-15-16(11-13)23-10-9-22-15;/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120574644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).