N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

C18H31IN6O2 — CID 119131895

IUPACN-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1C)N1CCN(C(=O)C2CCCO2)CC1.I
InChIInChI=1S/C18H30N6O2.HI/c1-3-19-18(21-7-9-22-8-6-20-15(22)2)24-12-10-23(11-13-24)17(25)16-5-4-14-26-16;/h6,8,16H,3-5,7,9-14H2,1-2H3,(H,19,21);1H
InChIKeySKUKGQTUGBWWNT-UHFFFAOYSA-N
MW490.39 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119131895) has the molecular formula C18H31IN6O2 and a molecular weight of 490.39 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119131895
Molecular FormulaC18H31IN6O2
Molecular Weight490.39 g/mol
Exact Mass490.16
IUPAC NameN-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1C)N1CCN(C(=O)C2CCCO2)CC1.I
InChIInChI=1S/C18H30N6O2.HI/c1-3-19-18(21-7-9-22-8-6-20-15(22)2)24-12-10-23(11-13-24)17(25)16-5-4-14-26-16;/h6,8,16H,3-5,7,9-14H2,1-2H3,(H,19,21);1H
InChIKeySKUKGQTUGBWWNT-UHFFFAOYSA-N
XLogP1.10
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-4-(oxolane-2-carbonyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 111302220
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300516
N-[2-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111301646
N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301280
N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302476
N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 109402193
N-ethyl-4-(oxolane-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111302930
N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301024
N-ethyl-4-(oxolane-2-carbonyl)-N'-(3-phenoxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111300862
N-ethyl-N'-[3-(N-methylanilino)propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300477
N-ethyl-N'-[2-(3-methylphenyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300502
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (CID 119131895) is N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCn1ccnc1C)N1CCN(C(=O)C2CCCO2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is SKUKGQTUGBWWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2.HI/c1-3-19-18(21-7-9-22-8-6-20-15(22)2)24-12-10-23(11-13-24)17(25)16-5-4-14-26-16;/h6,8,16H,3-5,7,9-14H2,1-2H3,(H,19,21);1H.
What are the key properties of N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 490.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methylimidazol-1-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119131895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).