2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide

C15H22IN3O — CID 63597290

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C15H22IN3O/c1-11(17)12-6-8-19(9-7-12)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20)
InChIKeyAOQNYEUXUNYCAQ-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide (PubChem CID 63597290) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
PubChem CID63597290
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C15H22IN3O/c1-11(17)12-6-8-19(9-7-12)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20)
InChIKeyAOQNYEUXUNYCAQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-iodophenyl)acetamide
CID 11940842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide (CID 63597290) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide is CC(N)C1CCN(CC(=O)Nc2ccccc2I)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
The InChIKey is AOQNYEUXUNYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O/c1-11(17)12-6-8-19(9-7-12)10-15(20)18-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide has a molecular weight of 387.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 63597290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).