2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide

C15H16F3IN2O2 — CID 108932663

IUPAC2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1ccccc1I)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F3IN2O2/c16-15(17,18)14(23)20-9-10-5-7-21(8-6-10)13(22)11-3-1-2-4-12(11)19/h1-4,10H,5-9H2,(H,20,23)
InChIKeyMZNZXTFFLLHELC-UHFFFAOYSA-N
MW440.20 g/mol
LogP2.82
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108932663) has the molecular formula C15H16F3IN2O2 and a molecular weight of 440.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID108932663
Molecular FormulaC15H16F3IN2O2
Molecular Weight440.20 g/mol
Exact Mass440.02
IUPAC Name2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1ccccc1I)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F3IN2O2/c16-15(17,18)14(23)20-9-10-5-7-21(8-6-10)13(22)11-3-1-2-4-12(11)19/h1-4,10H,5-9H2,(H,20,23)
InChIKeyMZNZXTFFLLHELC-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
N-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932762
2,2,2-trifluoro-1-[4-(2-iodobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108543646
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
CID 55844259
ethyl [4-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108929904
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932892
(2-iodophenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643272

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide (CID 108932663) is 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide is O=C(c1ccccc1I)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MZNZXTFFLLHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3IN2O2/c16-15(17,18)14(23)20-9-10-5-7-21(8-6-10)13(22)11-3-1-2-4-12(11)19/h1-4,10H,5-9H2,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 440.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).