N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide

C17H22N4S — CID 110960745

IUPACN'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccsc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22N4S/c1-18-17(19-13-15-7-12-22-14-15)21-10-8-20(9-11-21)16-5-3-2-4-6-16/h2-7,12,14H,8-11,13H2,1H3,(H,18,19)
InChIKeyRBGKOBNOAZUCOC-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.65
Rot. Bonds3

About N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide

N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide (PubChem CID 110960745) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide
PubChem CID110960745
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC NameN'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccsc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22N4S/c1-18-17(19-13-15-7-12-22-14-15)21-10-8-20(9-11-21)16-5-3-2-4-6-16/h2-7,12,14H,8-11,13H2,1H3,(H,18,19)
InChIKeyRBGKOBNOAZUCOC-UHFFFAOYSA-N
XLogP2.65
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111940523
4-benzyl-N'-methyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 110959518
N'-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110933988
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
N-[(3-fluorophenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962144
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961031
N'-methyl-N-(thiophen-3-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377639
N-[[3-(dimethylamino)phenyl]methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962158
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961646
N'-methyl-N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960927
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
2-methyl-1-[(4-thiomorpholin-4-ylphenyl)methyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939382

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide (CID 110960745) is N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide is C/N=C(\NCc1ccsc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is RBGKOBNOAZUCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-18-17(19-13-15-7-12-22-14-15)21-10-8-20(9-11-21)16-5-3-2-4-6-16/h2-7,12,14H,8-11,13H2,1H3,(H,18,19).
What are the key properties of N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide?
N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 314.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-(thiophen-3-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110960745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).