methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate

C19H20N2O5 — CID 46568061

IUPACmethyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-19(24)13-4-6-16(7-5-13)20-17(22)14-3-2-9-21(11-14)18(23)15-8-10-26-12-15/h4-8,10,12,14H,2-3,9,11H2,1H3,(H,20,22)
InChIKeyQJOJMJYJXSWTBA-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.56
Rot. Bonds4

About methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate

methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 46568061) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID46568061
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-19(24)13-4-6-16(7-5-13)20-17(22)14-3-2-9-21(11-14)18(23)15-8-10-26-12-15/h4-8,10,12,14H,2-3,9,11H2,1H3,(H,20,22)
InChIKeyQJOJMJYJXSWTBA-UHFFFAOYSA-N
XLogP2.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 51725834
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (CID 46568061) is methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)cc1.
What is the InChIKey of methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is QJOJMJYJXSWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-19(24)13-4-6-16(7-5-13)20-17(22)14-3-2-9-21(11-14)18(23)15-8-10-26-12-15/h4-8,10,12,14H,2-3,9,11H2,1H3,(H,20,22).
What are the key properties of methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 46568061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).