[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C19H26N2O5 — CID 55475565

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H26N2O5/c1-4-20(12-14(2)3)17(22)13-26-19(24)15-7-9-21(10-8-15)18(23)16-6-5-11-25-16/h5-6,11,15H,2,4,7-10,12-13H2,1,3H3
InChIKeyNSNLVZXQSWTVTB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 55475565) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID55475565
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H26N2O5/c1-4-20(12-14(2)3)17(22)13-26-19(24)15-7-9-21(10-8-15)18(23)16-6-5-11-25-16/h5-6,11,15H,2,4,7-10,12-13H2,1,3H3
InChIKeyNSNLVZXQSWTVTB-UHFFFAOYSA-N
XLogP2.10
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508382
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609950
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 51211332
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 55311954
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378115
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460150

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 55475565) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is C=C(C)CN(CC)C(=O)COC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is NSNLVZXQSWTVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-20(12-14(2)3)17(22)13-26-19(24)15-7-9-21(10-8-15)18(23)16-6-5-11-25-16/h5-6,11,15H,2,4,7-10,12-13H2,1,3H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).