ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate

C16H19NO5 — CID 139712196

IUPACethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2cccc3c2C(=O)CO3)CC1
InChIInChI=1S/C16H19NO5/c1-2-20-16(19)17-8-6-11(7-9-17)22-14-5-3-4-13-15(14)12(18)10-21-13/h3-5,11H,2,6-10H2,1H3
InChIKeyICFVRGWYYIZLLR-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.26
Rot. Bonds3

About ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate

ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate (PubChem CID 139712196) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate
PubChem CID139712196
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2cccc3c2C(=O)CO3)CC1
InChIInChI=1S/C16H19NO5/c1-2-20-16(19)17-8-6-11(7-9-17)22-14-5-3-4-13-15(14)12(18)10-21-13/h3-5,11H,2,6-10H2,1H3
InChIKeyICFVRGWYYIZLLR-UHFFFAOYSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(9-methoxy-3-oxo-5H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate
CID 71793846
ethyl 4-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperidine-1-carboxylate
CID 143065861
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
CID 134124384
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
CID 69177022
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate (CID 139712196) is ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2cccc3c2C(=O)CO3)CC1.
What is the InChIKey of ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate?
The InChIKey is ICFVRGWYYIZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-20-16(19)17-8-6-11(7-9-17)22-14-5-3-4-13-15(14)12(18)10-21-13/h3-5,11H,2,6-10H2,1H3.
What are the key properties of ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate?
ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-oxo-1-benzofuran-4-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 139712196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).