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

C20H22N2O5 — CID 46604295

IUPACethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)c1
InChIInChI=1S/C20H22N2O5/c1-2-27-20(25)14-5-3-7-17(11-14)21-18(23)15-6-4-9-22(12-15)19(24)16-8-10-26-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,21,23)
InChIKeyAHOAZOJQXSFICV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.95
Rot. Bonds5

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

ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 46604295) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID46604295
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)c1
InChIInChI=1S/C20H22N2O5/c1-2-27-20(25)14-5-3-7-17(11-14)21-18(23)15-6-4-9-22(12-15)19(24)16-8-10-26-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,21,23)
InChIKeyAHOAZOJQXSFICV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate
CID 39014081
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
1-[(3-ethoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076129
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
ethyl 2-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 43054937
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
ethyl 3-[[1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 46774412
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (CID 46604295) is ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)c1.
What is the InChIKey of ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is AHOAZOJQXSFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-27-20(25)14-5-3-7-17(11-14)21-18(23)15-6-4-9-22(12-15)19(24)16-8-10-26-13-16/h3,5,7-8,10-11,13,15H,2,4,6,9,12H2,1H3,(H,21,23).
What are the key properties of ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.95, 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-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 46604295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).