[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C20H28N3O5+ — CID 8842192

IUPAC[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOC(=O)N1CCC(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)CC1
InChIInChI=1S/C20H27N3O5/c1-2-26-20(25)23-9-7-16(8-10-23)21-19(24)15-22(13-17-5-3-11-27-17)14-18-6-4-12-28-18/h3-6,11-12,16H,2,7-10,13-15H2,1H3,(H,21,24)/p+1
InChIKeyMCVOVMHTFOYCGK-UHFFFAOYSA-O
MW390.46 g/mol
LogP1.19
Rot. Bonds8

About [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8842192) has the molecular formula C20H28N3O5+ and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8842192
Molecular FormulaC20H28N3O5+
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOC(=O)N1CCC(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)CC1
InChIInChI=1S/C20H27N3O5/c1-2-26-20(25)23-9-7-16(8-10-23)21-19(24)15-22(13-17-5-3-11-27-17)14-18-6-4-12-28-18/h3-6,11-12,16H,2,7-10,13-15H2,1H3,(H,21,24)/p+1
InChIKeyMCVOVMHTFOYCGK-UHFFFAOYSA-O
XLogP1.19
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium with MolForge

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Related Compounds

ethyl 4-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110053361
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111861076
ethyl 4-[[N'-[2-(furan-2-yl)ethyl]-N-(thian-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110056772
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(3-phenylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111860820
ethyl 4-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111862064
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 4-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(4-methylpentyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111861916
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841120

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8842192) is [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is CCOC(=O)N1CCC(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)CC1.
What is the InChIKey of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is MCVOVMHTFOYCGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O5/c1-2-26-20(25)23-9-7-16(8-10-23)21-19(24)15-22(13-17-5-3-11-27-17)14-18-6-4-12-28-18/h3-6,11-12,16H,2,7-10,13-15H2,1H3,(H,21,24)/p+1.
What are the key properties of [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 390.46 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8842192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).