N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide

C23H37N3O4 — CID 110057122

IUPACN-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCO2)N2CCC(OCC3CCCCO3)CC2)c1
InChIInChI=1S/C23H37N3O4/c1-2-14-29-22(5-1)18-30-20-9-12-26(13-10-20)23(25-17-21-7-4-16-28-21)24-11-8-19-6-3-15-27-19/h3,6,15,20-22H,1-2,4-5,7-14,16-18H2,(H,24,25)
InChIKeyOZHOCWKXBUBJNA-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 110057122) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID110057122
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CC2CCCO2)N2CCC(OCC3CCCCO3)CC2)c1
InChIInChI=1S/C23H37N3O4/c1-2-14-29-22(5-1)18-30-20-9-12-26(13-10-20)23(25-17-21-7-4-16-28-21)24-11-8-19-6-3-15-27-19/h3,6,15,20-22H,1-2,4-5,7-14,16-18H2,(H,24,25)
InChIKeyOZHOCWKXBUBJNA-UHFFFAOYSA-N
XLogP3.00
TPSA68.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110057383
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057376
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057347
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057330
N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 110057366
N-[2-(furan-2-yl)ethyl]-N'-(2-methylsulfanylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057337
N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057355
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449925
N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 110053521
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 110053364
N-ethyl-N'-(furan-2-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449548
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111539216

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide (CID 110057122) is N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide is c1coc(CCN/C(=N\CC2CCCO2)N2CCC(OCC3CCCCO3)CC2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is OZHOCWKXBUBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-2-14-29-22(5-1)18-30-20-9-12-26(13-10-20)23(25-17-21-7-4-16-28-21)24-11-8-19-6-3-15-27-19/h3,6,15,20-22H,1-2,4-5,7-14,16-18H2,(H,24,25).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 419.57 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 110057122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).