N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride

C15H20ClN2O3- — CID 21228924

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)Nc1cccc2c1OCCO2.[Cl-]
InChIInChI=1S/C15H20N2O3.ClH/c18-14(11-17-7-2-1-3-8-17)16-12-5-4-6-13-15(12)20-10-9-19-13;/h4-6H,1-3,7-11H2,(H,16,18);1H/p-1
InChIKeyAYOVKBDGWISTFJ-UHFFFAOYSA-M
MW311.79 g/mol
LogP-1.11
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride (PubChem CID 21228924) 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-5-yl)-2-piperidin-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
PubChem CID21228924
Molecular FormulaC15H20ClN2O3-
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)Nc1cccc2c1OCCO2.[Cl-]
InChIInChI=1S/C15H20N2O3.ClH/c18-14(11-17-7-2-1-3-8-17)16-12-5-4-6-13-15(12)20-10-9-19-13;/h4-6H,1-3,7-11H2,(H,16,18);1H/p-1
InChIKeyAYOVKBDGWISTFJ-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-(1,3-benzodioxol-4-yl)-3-piperidin-1-ylpropanamide
CID 794212
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-piperidin-1-ylpiperidine-1-carboxamide
CID 71938980
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55820715
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride (CID 21228924) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride is O=C(CN1CCCCC1)Nc1cccc2c1OCCO2.[Cl-].
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride?
The InChIKey is AYOVKBDGWISTFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N2O3.ClH/c18-14(11-17-7-2-1-3-8-17)16-12-5-4-6-13-15(12)20-10-9-19-13;/h4-6H,1-3,7-11H2,(H,16,18);1H/p-1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-piperidin-1-ylacetamide chloride?
N-(2,3-dihydro-1,4-benzodioxin-5-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-5-yl)-2-piperidin-1-ylacetamide chloride is sourced from PubChem (CID 21228924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).