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

C9H17IN2O — CID 126991191

IUPACN-[1-(2-iodoethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCI)CC1
InChIInChI=1S/C9H17IN2O/c1-8(13)11-9-2-5-12(6-3-9)7-4-10/h9H,2-7H2,1H3,(H,11,13)
InChIKeyFMZYGEJABBBHMU-UHFFFAOYSA-N
MW296.15 g/mol
LogP1.02
Rot. Bonds3

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

N-[1-(2-iodoethyl)piperidin-4-yl]acetamide (PubChem CID 126991191) has the molecular formula C9H17IN2O and a molecular weight of 296.15 g/mol. Its IUPAC name is N-[1-(2-iodoethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-iodoethyl)piperidin-4-yl]acetamide
PubChem CID126991191
Molecular FormulaC9H17IN2O
Molecular Weight296.15 g/mol
Exact Mass296.04
IUPAC NameN-[1-(2-iodoethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCI)CC1
InChIInChI=1S/C9H17IN2O/c1-8(13)11-9-2-5-12(6-3-9)7-4-10/h9H,2-7H2,1H3,(H,11,13)
InChIKeyFMZYGEJABBBHMU-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
2,2-dimethylpropane;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]acetamide
CID 143432869
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
N-[1-(6-amino-5,5-dimethylhexyl)piperidin-4-yl]acetamide
CID 106708228
N-[1-(3-pyrrolidin-2-ylpropyl)piperidin-4-yl]acetamide
CID 113402351
N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
CID 144757888
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
CID 144757887

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iodoethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-iodoethyl)piperidin-4-yl]acetamide (CID 126991191) is N-[1-(2-iodoethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-iodoethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-iodoethyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCI)CC1.
What is the InChIKey of N-[1-(2-iodoethyl)piperidin-4-yl]acetamide?
The InChIKey is FMZYGEJABBBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2O/c1-8(13)11-9-2-5-12(6-3-9)7-4-10/h9H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[1-(2-iodoethyl)piperidin-4-yl]acetamide?
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide has a molecular weight of 296.15 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iodoethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 126991191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).