N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride

C14H19ClN2O3 — CID 2868510

IUPACN-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)Nc1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3.ClH/c17-13(9-16-7-2-1-3-8-16)15-11-5-4-6-12-14(11)19-10-18-12;/h4-6H,1-3,7-10H2,(H,15,17);1H
InChIKeyCILLFWVIAGYXNG-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.26
Rot. Bonds3

About N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride

N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride (PubChem CID 2868510) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride
PubChem CID2868510
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)Nc1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3.ClH/c17-13(9-16-7-2-1-3-8-16)15-11-5-4-6-12-14(11)19-10-18-12;/h4-6H,1-3,7-10H2,(H,15,17);1H
InChIKeyCILLFWVIAGYXNG-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride (CID 2868510) is N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCCC1)Nc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The InChIKey is CILLFWVIAGYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-13(9-16-7-2-1-3-8-16)15-11-5-4-6-12-14(11)19-10-18-12;/h4-6H,1-3,7-10H2,(H,15,17);1H.
What are the key properties of N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride?
N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-2-piperidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 2868510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).