2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine

C14H28N4O — CID 111129757

IUPAC2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCC(=O)N1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-4-6-9-16-14(15-2)17-12-13(19)18-10-7-5-8-11-18/h3-12H2,1-2H3,(H2,15,16,17)
InChIKeyBJYYBQIJVZDFNH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.35
Rot. Bonds6

About 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine

2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine (PubChem CID 111129757) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine.

Molecular Properties

Compound Name2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine
PubChem CID111129757
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCC(=O)N1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-4-6-9-16-14(15-2)17-12-13(19)18-10-7-5-8-11-18/h3-12H2,1-2H3,(H2,15,16,17)
InChIKeyBJYYBQIJVZDFNH-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 110943728
1-hexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111161553
2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111129806
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111278679
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
1-hexyl-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111162197
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119116133
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128589
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111261069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine?
The IUPAC name of 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine (CID 111129757) is 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine.
What is the SMILES notation for 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine?
The canonical SMILES for 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine is CCCCCN/C(=N\C)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine?
The InChIKey is BJYYBQIJVZDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-4-6-9-16-14(15-2)17-12-13(19)18-10-7-5-8-11-18/h3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine?
2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine has a molecular weight of 268.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-pentylguanidine is sourced from PubChem (CID 111129757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).