N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C19H27IN4O2 — CID 34725182

IUPACN-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccccc1I
InChIInChI=1S/C19H27IN4O2/c20-16-6-2-3-7-17(16)21-18(25)14-22-10-12-23(13-11-22)15-19(26)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,21,25)
InChIKeyLNUIOKDTECRZTB-UHFFFAOYSA-N
MW470.36 g/mol
LogP1.86
Rot. Bonds5

About N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 34725182) has the molecular formula C19H27IN4O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID34725182
Molecular FormulaC19H27IN4O2
Molecular Weight470.36 g/mol
Exact Mass470.12
IUPAC NameN-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccccc1I
InChIInChI=1S/C19H27IN4O2/c20-16-6-2-3-7-17(16)21-18(25)14-22-10-12-23(13-11-22)15-19(26)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,21,25)
InChIKeyLNUIOKDTECRZTB-UHFFFAOYSA-N
XLogP1.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-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

2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157908
N-(2-chlorophenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799834
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-iodophenyl)acetamide
CID 11940842

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 34725182) is N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is LNUIOKDTECRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27IN4O2/c20-16-6-2-3-7-17(16)21-18(25)14-22-10-12-23(13-11-22)15-19(26)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,21,25).
What are the key properties of N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 470.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34725182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).