ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate

C20H22N2O5 — CID 60551969

IUPACethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-2-26-20(25)14-7-5-8-15(13-14)21-18(23)16-9-3-4-11-22(16)19(24)17-10-6-12-27-17/h5-8,10,12-13,16H,2-4,9,11H2,1H3,(H,21,23)
InChIKeyAEORAGDBBVYRDK-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.09
Rot. Bonds5

About ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate

ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate (PubChem CID 60551969) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
PubChem CID60551969
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-2-26-20(25)14-7-5-8-15(13-14)21-18(23)16-9-3-4-11-22(16)19(24)17-10-6-12-27-17/h5-8,10,12-13,16H,2-4,9,11H2,1H3,(H,21,23)
InChIKeyAEORAGDBBVYRDK-UHFFFAOYSA-N
XLogP3.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 24658807
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
CID 95974055

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate (CID 60551969) is ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1.
What is the InChIKey of ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate?
The InChIKey is AEORAGDBBVYRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-26-20(25)14-7-5-8-15(13-14)21-18(23)16-9-3-4-11-22(16)19(24)17-10-6-12-27-17/h5-8,10,12-13,16H,2-4,9,11H2,1H3,(H,21,23).
What are the key properties of ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate?
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 60551969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).