2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide

C19H20IN3O2 — CID 31375804

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1I
InChIInChI=1S/C19H20IN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyAKSMAITUEWQZAB-UHFFFAOYSA-N
MW449.29 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide (PubChem CID 31375804) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
PubChem CID31375804
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1I
InChIInChI=1S/C19H20IN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyAKSMAITUEWQZAB-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 34725182
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide (CID 31375804) is 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1I.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is AKSMAITUEWQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c20-16-8-4-5-9-17(16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 449.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 31375804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).