2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide

C15H22IN3O — CID 63255722

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
SMILESCC(N)C1CCCCN1CC(=O)Nc1ccccc1I
InChIInChI=1S/C15H22IN3O/c1-11(17)14-8-4-5-9-19(14)10-15(20)18-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3,(H,18,20)
InChIKeyJQJKVHDWGLCTFK-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide (PubChem CID 63255722) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
PubChem CID63255722
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
SMILESCC(N)C1CCCCN1CC(=O)Nc1ccccc1I
InChIInChI=1S/C15H22IN3O/c1-11(17)14-8-4-5-9-19(14)10-15(20)18-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3,(H,18,20)
InChIKeyJQJKVHDWGLCTFK-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide (CID 63255722) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide is CC(N)C1CCCCN1CC(=O)Nc1ccccc1I.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The InChIKey is JQJKVHDWGLCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O/c1-11(17)14-8-4-5-9-19(14)10-15(20)18-13-7-3-2-6-12(13)16/h2-3,6-7,11,14H,4-5,8-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide has a molecular weight of 387.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 63255722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).