2-(1-iodo-4-phenylpiperidin-4-yl)acetamide

C13H17IN2O — CID 138702076

IUPAC2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
SMILESNC(=O)CC1(c2ccccc2)CCN(I)CC1
InChIInChI=1S/C13H17IN2O/c14-16-8-6-13(7-9-16,10-12(15)17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,17)
InChIKeyLYAXWHCTVGWFOT-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide

2-(1-iodo-4-phenylpiperidin-4-yl)acetamide (PubChem CID 138702076) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
PubChem CID138702076
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
SMILESNC(=O)CC1(c2ccccc2)CCN(I)CC1
InChIInChI=1S/C13H17IN2O/c14-16-8-6-13(7-9-16,10-12(15)17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,17)
InChIKeyLYAXWHCTVGWFOT-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-iodo-4-phenylpiperidin-4-yl)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

tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
CID 143255426
2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
CID 139908152
4-fluoro-1-iodo-4-phenylpiperidine
CID 138702171
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
CID 130407618
2-[1-(3-fluorophenyl)cyclobutyl]acetamide
CID 121344932
2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]acetamide
CID 928210
2-oxo-3-(1-phenylcyclohexyl)propanoic acid
CID 18551192
4-(2,2-diphenylpiperidin-1-yl)butanamide
CID 19992345
(1-phenylcyclopropyl)methanesulfonamide
CID 112639905
4-[4-(aminomethyl)-4-phenylpiperidin-1-yl]pyridine-2-carboxamide
CID 136569236
2-(4-methyl-2,2-diphenylpiperazin-1-yl)acetamide
CID 174530352
2-[1-(2-chlorophenyl)cyclopentyl]acetamide
CID 121345002

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide (CID 138702076) is 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide is NC(=O)CC1(c2ccccc2)CCN(I)CC1.
What is the InChIKey of 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide?
The InChIKey is LYAXWHCTVGWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-16-8-6-13(7-9-16,10-12(15)17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,17).
What are the key properties of 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide?
2-(1-iodo-4-phenylpiperidin-4-yl)acetamide has a molecular weight of 344.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodo-4-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 138702076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).