N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide

C17H29IN4O3 — CID 119139695

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1ccco1)N1CCN(C(=O)C(C)C)CC1.I
InChIInChI=1S/C17H28N4O3.HI/c1-13(2)15(22)20-7-9-21(10-8-20)16(18-4)19-12-17(3,23)14-6-5-11-24-14;/h5-6,11,13,23H,7-10,12H2,1-4H3,(H,18,19);1H
InChIKeyZTUQPMIGJJKUSX-UHFFFAOYSA-N
MW464.35 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide

N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119139695) has the molecular formula C17H29IN4O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119139695
Molecular FormulaC17H29IN4O3
Molecular Weight464.35 g/mol
Exact Mass464.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1ccco1)N1CCN(C(=O)C(C)C)CC1.I
InChIInChI=1S/C17H28N4O3.HI/c1-13(2)15(22)20-7-9-21(10-8-20)16(18-4)19-12-17(3,23)14-6-5-11-24-14;/h5-6,11,13,23H,7-10,12H2,1-4H3,(H,18,19);1H
InChIKeyZTUQPMIGJJKUSX-UHFFFAOYSA-N
XLogP1.48
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119139679
4-[(5-chlorothiophen-2-yl)methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119139715
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119156986
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111671829
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111505087

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide (CID 119139695) is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)(O)c1ccco1)N1CCN(C(=O)C(C)C)CC1.I.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZTUQPMIGJJKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.HI/c1-13(2)15(22)20-7-9-21(10-8-20)16(18-4)19-12-17(3,23)14-6-5-11-24-14;/h5-6,11,13,23H,7-10,12H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119139695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).