2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride

C13H19ClIN3O — CID 119910140

IUPAC2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
SMILESCl.NC1CCCN(CC(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C13H18IN3O.ClH/c14-10-3-1-5-12(7-10)16-13(18)9-17-6-2-4-11(15)8-17;/h1,3,5,7,11H,2,4,6,8-9,15H2,(H,16,18);1H
InChIKeyFICRJRKBDQXXNN-UHFFFAOYSA-N
MW395.67 g/mol
LogP2.07
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride

2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride (PubChem CID 119910140) has the molecular formula C13H19ClIN3O and a molecular weight of 395.67 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
PubChem CID119910140
Molecular FormulaC13H19ClIN3O
Molecular Weight395.67 g/mol
Exact Mass395.03
IUPAC Name2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
SMILESCl.NC1CCCN(CC(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C13H18IN3O.ClH/c14-10-3-1-5-12(7-10)16-13(18)9-17-6-2-4-11(15)8-17;/h1,3,5,7,11H,2,4,6,8-9,15H2,(H,16,18);1H
InChIKeyFICRJRKBDQXXNN-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 52.07
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

N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-(3-aminopiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119910035
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride (CID 119910140) is 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride is Cl.NC1CCCN(CC(=O)Nc2cccc(I)c2)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride?
The InChIKey is FICRJRKBDQXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O.ClH/c14-10-3-1-5-12(7-10)16-13(18)9-17-6-2-4-11(15)8-17;/h1,3,5,7,11H,2,4,6,8-9,15H2,(H,16,18);1H.
What are the key properties of 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride?
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride has a molecular weight of 395.67 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119910140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).