N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide

C21H36N4O2 — CID 111153989

About N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide (PubChem CID 111153989) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
• PubChem CID: 111153989
• Molecular Formula: C21H36N4O2
• Molecular Weight: 376.55 g/mol
• Exact Mass: 376.28
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
• SMILES: CC1CC(C)CN(/C(=N/CCCN2CCOCC2)NCCc2ccco2)C1
• InChI: InChI=1S/C21H36N4O2/c1-18-15-19(2)17-25(16-18)21(23-8-6-20-5-3-12-27-20)22-7-4-9-24-10-13-26-14-11-24/h3,5,12,18-19H,4,6-11,13-17H2,1-2H3,(H,22,23)
• InChIKey: UVLHLYNUNVGSRP-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.55
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide (CID 111153989) is N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide.

What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide is CC1CC(C)CN(/C(=N/CCCN2CCOCC2)NCCc2ccco2)C1.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?

The InChIKey is UVLHLYNUNVGSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-18-15-19(2)17-25(16-18)21(23-8-6-20-5-3-12-27-20)22-7-4-9-24-10-13-26-14-11-24/h3,5,12,18-19H,4,6-11,13-17H2,1-2H3,(H,22,23).

What are the key properties of N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?

N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide has a molecular weight of 376.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111153989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).