N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

C18H20IN3O2 — CID 3347580

IUPACN-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C18H20IN3O2/c1-24-17-8-3-2-7-16(17)21-9-11-22(12-10-21)18(23)20-15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyGZTTZYXDSVMODF-UHFFFAOYSA-N
MW437.28 g/mol
LogP3.65
Rot. Bonds3

About N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 3347580) has the molecular formula C18H20IN3O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID3347580
Molecular FormulaC18H20IN3O2
Molecular Weight437.28 g/mol
Exact Mass437.06
IUPAC NameN-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C18H20IN3O2/c1-24-17-8-3-2-7-16(17)21-9-11-22(12-10-21)18(23)20-15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyGZTTZYXDSVMODF-UHFFFAOYSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 53.65
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-[3-(1,3-dithiolan-2-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71895900
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
4-(2,4-dimethylphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
CID 3768941
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 3347580) is N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2cccc(I)c2)CC1.
What is the InChIKey of N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GZTTZYXDSVMODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O2/c1-24-17-8-3-2-7-16(17)21-9-11-22(12-10-21)18(23)20-15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 437.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3347580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).