N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C17H20IN3OS — CID 23824710

IUPACN-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C17H20IN3OS/c18-14-3-5-15(6-4-14)19-17(22)21-11-9-20(10-12-21)8-7-16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22)
InChIKeyAXLMVZFGDCZCJA-UHFFFAOYSA-N
MW441.34 g/mol
LogP3.74
Rot. Bonds4

About N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 23824710) has the molecular formula C17H20IN3OS and a molecular weight of 441.34 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID23824710
Molecular FormulaC17H20IN3OS
Molecular Weight441.34 g/mol
Exact Mass441.04
IUPAC NameN-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C17H20IN3OS/c18-14-3-5-15(6-4-14)19-17(22)21-11-9-20(10-12-21)8-7-16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22)
InChIKeyAXLMVZFGDCZCJA-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 53.74
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-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3717878
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275398
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
N-(1,3-benzodioxol-5-yl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide
CID 5175978
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275394
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 23824710) is N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is O=C(Nc1ccc(I)cc1)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is AXLMVZFGDCZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3OS/c18-14-3-5-15(6-4-14)19-17(22)21-11-9-20(10-12-21)8-7-16-2-1-13-23-16/h1-6,13H,7-12H2,(H,19,22).
What are the key properties of N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 441.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 23824710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).