dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

C23H19NO4S — CID 32991028

IUPACdibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H19NO4S/c25-22(21-6-3-13-29-21)24-11-9-15(10-12-24)23(26)27-16-7-8-20-18(14-16)17-4-1-2-5-19(17)28-20/h1-8,13-15H,9-12H2
InChIKeyNUUHORCNIYBPCT-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.11
Rot. Bonds3

About dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 32991028) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namedibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID32991028
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Namedibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H19NO4S/c25-22(21-6-3-13-29-21)24-11-9-15(10-12-24)23(26)27-16-7-8-20-18(14-16)17-4-1-2-5-19(17)28-20/h1-8,13-15H,9-12H2
InChIKeyNUUHORCNIYBPCT-UHFFFAOYSA-N
XLogP5.11
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 43038702
(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27844069
[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 39964664
dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 31304364
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 33188030
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[2-(benzylcarbamoylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27542218
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 55379719
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 32991028) is dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is O=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is NUUHORCNIYBPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c25-22(21-6-3-13-29-21)24-11-9-15(10-12-24)23(26)27-16-7-8-20-18(14-16)17-4-1-2-5-19(17)28-20/h1-8,13-15H,9-12H2.
What are the key properties of dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 32991028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).