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

C14H14F3IN2O2 — CID 108548674

IUPAC2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(c1ccccc1I)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F3IN2O2/c15-14(16,17)13(22)19-9-5-7-20(8-6-9)12(21)10-3-1-2-4-11(10)18/h1-4,9H,5-8H2,(H,19,22)
InChIKeyFDXIFDSGRXJTGN-UHFFFAOYSA-N
MW426.18 g/mol
LogP2.57
Rot. Bonds2

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

2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108548674) has the molecular formula C14H14F3IN2O2 and a molecular weight of 426.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
PubChem CID108548674
Molecular FormulaC14H14F3IN2O2
Molecular Weight426.18 g/mol
Exact Mass426.01
IUPAC Name2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(c1ccccc1I)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H14F3IN2O2/c15-14(16,17)13(22)19-9-5-7-20(8-6-9)12(21)10-3-1-2-4-11(10)18/h1-4,9H,5-8H2,(H,19,22)
InChIKeyFDXIFDSGRXJTGN-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
CID 108563967
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
2,2,2-trifluoro-1-[4-(2-iodobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108543646
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide (CID 108548674) is 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide is O=C(c1ccccc1I)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is FDXIFDSGRXJTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3IN2O2/c15-14(16,17)13(22)19-9-5-7-20(8-6-9)12(21)10-3-1-2-4-11(10)18/h1-4,9H,5-8H2,(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 426.18 g/mol, XLogP of 2.57, 2 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]acetamide is sourced from PubChem (CID 108548674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).