[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C15H20N2O5 — CID 8861804

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)o1
InChIInChI=1S/C15H20N2O5/c1-9-7-12(10(2)22-9)15(20)21-8-13(18)17-5-3-11(4-6-17)14(16)19/h7,11H,3-6,8H2,1-2H3,(H2,16,19)
InChIKeyRKUDGLIGFMJYGV-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.78
Rot. Bonds4

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 8861804) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID8861804
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)o1
InChIInChI=1S/C15H20N2O5/c1-9-7-12(10(2)22-9)15(20)21-8-13(18)17-5-3-11(4-6-17)14(16)19/h7,11H,3-6,8H2,1-2H3,(H2,16,19)
InChIKeyRKUDGLIGFMJYGV-UHFFFAOYSA-N
XLogP0.78
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646373
[2-[4-[2-(2,5-dimethylfuran-3-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531518
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
CID 3969226
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butyl-4-hydroxybenzoate
CID 7891375
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477620
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23887831
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
1-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 46697274
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9473230

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 8861804) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)o1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is RKUDGLIGFMJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9-7-12(10(2)22-9)15(20)21-8-13(18)17-5-3-11(4-6-17)14(16)19/h7,11H,3-6,8H2,1-2H3,(H2,16,19).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 8861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).