4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide

C18H29IN4O3 — CID 119130378

IUPAC4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCCCC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C18H28N4O3.HI/c1-19-17(20-14-18(24)7-3-2-4-8-18)22-11-9-21(10-12-22)16(23)15-6-5-13-25-15;/h5-6,13,24H,2-4,7-12,14H2,1H3,(H,19,20);1H
InChIKeyJZFLZJUOLAXYGX-UHFFFAOYSA-N
MW476.36 g/mol
LogP1.93
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide

4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130378) has the molecular formula C18H29IN4O3 and a molecular weight of 476.36 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130378
Molecular FormulaC18H29IN4O3
Molecular Weight476.36 g/mol
Exact Mass476.13
IUPAC Name4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCCCC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C18H28N4O3.HI/c1-19-17(20-14-18(24)7-3-2-4-8-18)22-11-9-21(10-12-22)16(23)15-6-5-13-25-15;/h5-6,13,24H,2-4,7-12,14H2,1H3,(H,19,20);1H
InChIKeyJZFLZJUOLAXYGX-UHFFFAOYSA-N
XLogP1.93
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 51.93
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-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167099
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166772
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168602
4-(furan-2-carbonyl)-N'-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168108
N-[(5-bromothiophen-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167920

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 119130378) is 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(O)CCCCC1)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is JZFLZJUOLAXYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3.HI/c1-19-17(20-14-18(24)7-3-2-4-8-18)22-11-9-21(10-12-22)16(23)15-6-5-13-25-15;/h5-6,13,24H,2-4,7-12,14H2,1H3,(H,19,20);1H.
What are the key properties of 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide?
4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 476.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).