N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

C15H21N2O3+ — CID 2697951

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-11-4-2-3-7-17(11)9-15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyAJTSKPRMPWLMEF-LLVKDONJSA-O
MW277.34 g/mol
LogP0.81
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2697951) has the molecular formula C15H21N2O3+ and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2697951
Molecular FormulaC15H21N2O3+
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-11-4-2-3-7-17(11)9-15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyAJTSKPRMPWLMEF-LLVKDONJSA-O
XLogP0.81
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
N-(1,3-benzodioxol-5-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930384
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8832033
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 9443894
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 2697951) is N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is AJTSKPRMPWLMEF-LLVKDONJSA-O. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-2-3-7-17(11)9-15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18)/p+1/t11-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 277.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2697951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).