N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride

C16H23ClN2O3 — CID 119699865

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11(13-2-3-14-15(9-13)21-10-20-14)18-16(19)8-12-4-6-17-7-5-12;/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19);1H
InChIKeyHXEGGPLYSIUKCV-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119699865) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119699865
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCNCC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11(13-2-3-14-15(9-13)21-10-20-14)18-16(19)8-12-4-6-17-7-5-12;/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19);1H
InChIKeyHXEGGPLYSIUKCV-UHFFFAOYSA-N
XLogP2.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 119699865) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride is CC(NC(=O)CC1CCNCC1)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is HXEGGPLYSIUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-11(13-2-3-14-15(9-13)21-10-20-14)18-16(19)8-12-4-6-17-7-5-12;/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119699865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).