N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide

C14H20IN3O — CID 65447509

IUPACN-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN1CCNC(C)C1
InChIInChI=1S/C14H20IN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyMPLARDMSFJVJHY-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.83
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 65447509) has the molecular formula C14H20IN3O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID65447509
Molecular FormulaC14H20IN3O
Molecular Weight373.24 g/mol
Exact Mass373.07
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN1CCNC(C)C1
InChIInChI=1S/C14H20IN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyMPLARDMSFJVJHY-UHFFFAOYSA-N
XLogP1.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.83
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-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 103898494
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 8899909
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 60973242
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
2-[1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617120
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 65447509) is N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide is Cc1cc(I)ccc1NC(=O)CN1CCNC(C)C1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is MPLARDMSFJVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 373.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65447509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).