1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine

C13H24N4O2 — CID 119156133

IUPAC1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CC1(O)CCC1)NC1CCC(=O)NC1
InChIInChI=1S/C13H24N4O2/c1-2-14-12(16-9-13(19)6-3-7-13)17-10-4-5-11(18)15-8-10/h10,19H,2-9H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyRNGIKWMTYFNYIT-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.26
Rot. Bonds4

About 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine

1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine (PubChem CID 119156133) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine
PubChem CID119156133
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CC1(O)CCC1)NC1CCC(=O)NC1
InChIInChI=1S/C13H24N4O2/c1-2-14-12(16-9-13(19)6-3-7-13)17-10-4-5-11(18)15-8-10/h10,19H,2-9H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyRNGIKWMTYFNYIT-UHFFFAOYSA-N
XLogP-0.26
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156132
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119152554
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111833833
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)guanidine
CID 111255763
1-ethyl-3-(3-ethylcyclohexyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995647
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111996825
ethyl 4-[[N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838288
1-ethyl-2-[(5-fluoro-2-methylsulfanylphenyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119157037
1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119153908
N-cyclopropyl-3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]cyclohexane-1-carboxamide
CID 111995111
1-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119162139

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine (CID 119156133) is 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine is CCN/C(=N\CC1(O)CCC1)NC1CCC(=O)NC1.
What is the InChIKey of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine?
The InChIKey is RNGIKWMTYFNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-14-12(16-9-13(19)6-3-7-13)17-10-4-5-11(18)15-8-10/h10,19H,2-9H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine?
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine has a molecular weight of 268.36 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 119156133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).