N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C13H18IN3O — CID 82714024

IUPACN-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccccc1I
InChIInChI=1S/C13H18IN3O/c1-10-8-15-6-7-17(10)9-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyPASTYFDKZIORMX-JTQLQIEISA-N
MW359.21 g/mol
LogP1.52
Rot. Bonds3

About N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82714024) has the molecular formula C13H18IN3O and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82714024
Molecular FormulaC13H18IN3O
Molecular Weight359.21 g/mol
Exact Mass359.05
IUPAC NameN-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccccc1I
InChIInChI=1S/C13H18IN3O/c1-10-8-15-6-7-17(10)9-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyPASTYFDKZIORMX-JTQLQIEISA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 64980495
N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713552
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82714024) is N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is PASTYFDKZIORMX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18IN3O/c1-10-8-15-6-7-17(10)9-13(18)16-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 359.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82714024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).