N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C19H30N6O — CID 109490572

IUPACN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2nc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C19H30N6O/c1-4-9-19(2)10-6-12-25(14-19)18(20-3)21-11-8-16-22-17(24-23-16)15-7-5-13-26-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyXYBQMSHBFKSIDA-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.08
Rot. Bonds6

About N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490572) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490572
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2nc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C19H30N6O/c1-4-9-19(2)10-6-12-25(14-19)18(20-3)21-11-8-16-22-17(24-23-16)15-7-5-13-26-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyXYBQMSHBFKSIDA-UHFFFAOYSA-N
XLogP3.08
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490572) is N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCc2nc(-c3ccco3)n[nH]2)C1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is XYBQMSHBFKSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-9-19(2)10-6-12-25(14-19)18(20-3)21-11-8-16-22-17(24-23-16)15-7-5-13-26-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,20,21)(H,22,23,24).
What are the key properties of N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 358.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).