N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride

C15H20ClN2O3- — CID 21228925

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)Nc1ccc2c(c1)OCCO2.[Cl-]
InChIInChI=1S/C15H20N2O3.ClH/c18-15(11-17-6-2-1-3-7-17)16-12-4-5-13-14(10-12)20-9-8-19-13;/h4-5,10H,1-3,6-9,11H2,(H,16,18);1H/p-1
InChIKeyGPWZVFJBCALLFK-UHFFFAOYSA-M
MW311.79 g/mol
LogP-1.11
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride (PubChem CID 21228925) has the molecular formula C15H20ClN2O3- and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
PubChem CID21228925
Molecular FormulaC15H20ClN2O3-
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)Nc1ccc2c(c1)OCCO2.[Cl-]
InChIInChI=1S/C15H20N2O3.ClH/c18-15(11-17-6-2-1-3-7-17)16-12-4-5-13-14(10-12)20-9-8-19-13;/h4-5,10H,1-3,6-9,11H2,(H,16,18);1H/p-1
InChIKeyGPWZVFJBCALLFK-UHFFFAOYSA-M
XLogP-1.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942469
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 172892684
tert-butyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171327727
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 45361840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
N-benzyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55494077
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 15994622
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357043
2-[3-(difluoromethyl)azetidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 171999146
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride (CID 21228925) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride is O=C(CN1CCCCC1)Nc1ccc2c(c1)OCCO2.[Cl-].
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride?
The InChIKey is GPWZVFJBCALLFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O3.ClH/c18-15(11-17-6-2-1-3-7-17)16-12-4-5-13-14(10-12)20-9-8-19-13;/h4-5,10H,1-3,6-9,11H2,(H,16,18);1H/p-1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride has a molecular weight of 311.79 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride is sourced from PubChem (CID 21228925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).