1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

C16H26N4O3 — CID 119141578

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCCC1)NCC(O)c1ccc(C)o1
InChIInChI=1S/C16H26N4O3/c1-12-6-7-14(23-12)13(21)10-18-16(17-2)19-11-15(22)20-8-4-3-5-9-20/h6-7,13,21H,3-5,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyGAUJHIYNNNCEPP-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.80
Rot. Bonds5

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine

1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (PubChem CID 119141578) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
PubChem CID119141578
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(=O)N1CCCCC1)NCC(O)c1ccc(C)o1
InChIInChI=1S/C16H26N4O3/c1-12-6-7-14(23-12)13(21)10-18-16(17-2)19-11-15(22)20-8-4-3-5-9-20/h6-7,13,21H,3-5,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyGAUJHIYNNNCEPP-UHFFFAOYSA-N
XLogP0.80
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.80
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'}

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methylguanidine
CID 119141562
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119141538
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119141537
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111947976
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 119141610
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methylguanidine
CID 119141556
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111010682
1-[(5-bromothiophen-2-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119141595
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111977421
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
1,2-dimethyl-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 110927958

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine (CID 119141578) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is C/N=C(/NCC(=O)N1CCCCC1)NCC(O)c1ccc(C)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The InChIKey is GAUJHIYNNNCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-6-7-14(23-12)13(21)10-18-16(17-2)19-11-15(22)20-8-4-3-5-9-20/h6-7,13,21H,3-5,8-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine?
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine has a molecular weight of 322.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 119141578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).