[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C21H24N2O6 — CID 35378115

IUPAC[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccco2)CC1)NCCOc1ccccc1
InChIInChI=1S/C21H24N2O6/c24-19(22-10-14-27-17-5-2-1-3-6-17)15-29-21(26)16-8-11-23(12-9-16)20(25)18-7-4-13-28-18/h1-7,13,16H,8-12,14-15H2,(H,22,24)
InChIKeyWHAXJZBTJMSHIA-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.87
Rot. Bonds8

About [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 35378115) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID35378115
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccco2)CC1)NCCOc1ccccc1
InChIInChI=1S/C21H24N2O6/c24-19(22-10-14-27-17-5-2-1-3-6-17)15-29-21(26)16-8-11-23(12-9-16)20(25)18-7-4-13-28-18/h1-7,13,16H,8-12,14-15H2,(H,22,24)
InChIKeyWHAXJZBTJMSHIA-UHFFFAOYSA-N
XLogP1.87
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35377549
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
methyl 1-[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252211
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18208902
ethyl 1-[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155703
4-(furan-2-carbonyl)-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboximidamide
CID 111167995
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 35378115) is [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)c2ccco2)CC1)NCCOc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is WHAXJZBTJMSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c24-19(22-10-14-27-17-5-2-1-3-6-17)15-29-21(26)16-8-11-23(12-9-16)20(25)18-7-4-13-28-18/h1-7,13,16H,8-12,14-15H2,(H,22,24).
What are the key properties of [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 35378115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).