N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

C18H27IN4O — CID 86959463

IUPACN-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)Nc3ccccc3I)CC2)C1
InChIInChI=1S/C18H27IN4O/c1-21-8-4-5-15(13-21)23-11-9-22(10-12-23)14-18(24)20-17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,20,24)
InChIKeyVYPXZWXJCVYYFX-UHFFFAOYSA-N
MW442.35 g/mol
LogP1.94
Rot. Bonds4

About N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 86959463) has the molecular formula C18H27IN4O and a molecular weight of 442.35 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
PubChem CID86959463
Molecular FormulaC18H27IN4O
Molecular Weight442.35 g/mol
Exact Mass442.12
IUPAC NameN-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)Nc3ccccc3I)CC2)C1
InChIInChI=1S/C18H27IN4O/c1-21-8-4-5-15(13-21)23-11-9-22(10-12-23)14-18(24)20-17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,20,24)
InChIKeyVYPXZWXJCVYYFX-UHFFFAOYSA-N
XLogP1.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959417
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
methyl 1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 78920387
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-iodophenyl)acetamide
CID 11940842
N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 34725182
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959400
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (CID 86959463) is N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is CN1CCCC(N2CCN(CC(=O)Nc3ccccc3I)CC2)C1.
What is the InChIKey of N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is VYPXZWXJCVYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27IN4O/c1-21-8-4-5-15(13-21)23-11-9-22(10-12-23)14-18(24)20-17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,20,24).
What are the key properties of N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 442.35 g/mol, XLogP of 1.94, 4 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-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).