2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C16H23N3O3 — CID 120728107

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNCCC1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H23N3O3/c17-6-5-12-2-1-7-19(9-12)10-16(20)18-13-3-4-14-15(8-13)22-11-21-14/h3-4,8,12H,1-2,5-7,9-11,17H2,(H,18,20)
InChIKeyGFXMVWQPYIGLEG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.41
Rot. Bonds5

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 120728107) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID120728107
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNCCC1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H23N3O3/c17-6-5-12-2-1-7-19(9-12)10-16(20)18-13-3-4-14-15(8-13)22-11-21-14/h3-4,8,12H,1-2,5-7,9-11,17H2,(H,18,20)
InChIKeyGFXMVWQPYIGLEG-UHFFFAOYSA-N
XLogP1.41
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 11940591
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-(4-amino-3-methylpiperidin-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 79874642
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928499
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 120728107) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is NCCC1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is GFXMVWQPYIGLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-6-5-12-2-1-7-19(9-12)10-16(20)18-13-3-4-14-15(8-13)22-11-21-14/h3-4,8,12H,1-2,5-7,9-11,17H2,(H,18,20).
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 120728107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).