1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

C15H25IN4O3 — CID 119157239

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1ccco1)NC1CCC(=O)N(C)C1.I
InChIInChI=1S/C15H24N4O3.HI/c1-15(21,12-5-4-8-22-12)10-17-14(16-2)18-11-6-7-13(20)19(3)9-11;/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H2,16,17,18);1H
InChIKeyXXHSKTFOCTYMTR-UHFFFAOYSA-N
MW436.29 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide (PubChem CID 119157239) has the molecular formula C15H25IN4O3 and a molecular weight of 436.29 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
PubChem CID119157239
Molecular FormulaC15H25IN4O3
Molecular Weight436.29 g/mol
Exact Mass436.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1ccco1)NC1CCC(=O)N(C)C1.I
InChIInChI=1S/C15H24N4O3.HI/c1-15(21,12-5-4-8-22-12)10-17-14(16-2)18-11-6-7-13(20)19(3)9-11;/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H2,16,17,18);1H
InChIKeyXXHSKTFOCTYMTR-UHFFFAOYSA-N
XLogP0.89
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
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

1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119157103
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
CID 119157167
1-(2,2-dimethylcyclopropyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
CID 119141880
1-(2-chloroprop-2-enyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
CID 119156939
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119156263
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-[(2-methylcyclopropyl)methyl]guanidine
CID 119141865
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-enylguanidine
CID 119139399
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95932826
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141862
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119139679
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(furan-3-ylmethyl)-2-methylguanidine
CID 119141863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide (CID 119157239) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide is C/N=C(\NCC(C)(O)c1ccco1)NC1CCC(=O)N(C)C1.I.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The InChIKey is XXHSKTFOCTYMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.HI/c1-15(21,12-5-4-8-22-12)10-17-14(16-2)18-11-6-7-13(20)19(3)9-11;/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide has a molecular weight of 436.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 119157239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).