4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

C15H28N4O — CID 122101547

IUPAC4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCCCN1CC(C/N=C(\N)N2CCC(C)CC2)CC1=O
InChIInChI=1S/C15H28N4O/c1-3-6-19-11-13(9-14(19)20)10-17-15(16)18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOTPCXMUODBJFMS-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.29
Rot. Bonds4

About 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (PubChem CID 122101547) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
PubChem CID122101547
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCCCN1CC(C/N=C(\N)N2CCC(C)CC2)CC1=O
InChIInChI=1S/C15H28N4O/c1-3-6-19-11-13(9-14(19)20)10-17-15(16)18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOTPCXMUODBJFMS-UHFFFAOYSA-N
XLogP1.29
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
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 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (CID 122101547) is 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is CCCN1CC(C/N=C(\N)N2CCC(C)CC2)CC1=O.
What is the InChIKey of 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is OTPCXMUODBJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-6-19-11-13(9-14(19)20)10-17-15(16)18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 280.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 122101547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).