1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine

C11H20N4O — CID 119153908

IUPAC1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
SMILESC/N=C(\NC1CCC1)NC1CCC(=O)NC1
InChIInChI=1S/C11H20N4O/c1-12-11(14-8-3-2-4-8)15-9-5-6-10(16)13-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyJKXOIXOVIGKJRX-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.02
Rot. Bonds2

About 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine

1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine (PubChem CID 119153908) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
PubChem CID119153908
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
SMILESC/N=C(\NC1CCC1)NC1CCC(=O)NC1
InChIInChI=1S/C11H20N4O/c1-12-11(14-8-3-2-4-8)15-9-5-6-10(16)13-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyJKXOIXOVIGKJRX-UHFFFAOYSA-N
XLogP-0.02
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine (CID 119153908) is 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine is C/N=C(\NC1CCC1)NC1CCC(=O)NC1.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine?
The InChIKey is JKXOIXOVIGKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-11(14-8-3-2-4-8)15-9-5-6-10(16)13-7-9/h8-9H,2-7H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine?
1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine has a molecular weight of 224.31 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 119153908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).