1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide

C19H19N3O4 — CID 86872747

IUPAC1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
SMILESO=C1NCc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc21
InChIInChI=1S/C19H19N3O4/c23-17(21-15-2-1-13-10-20-18(24)16(13)9-15)12-3-6-22(7-4-12)19(25)14-5-8-26-11-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,20,24)(H,21,23)
InChIKeyPEMYXMXOTLUXRS-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.01
Rot. Bonds3

About 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide (PubChem CID 86872747) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
PubChem CID86872747
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
SMILESO=C1NCc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc21
InChIInChI=1S/C19H19N3O4/c23-17(21-15-2-1-13-10-20-18(24)16(13)9-15)12-3-6-22(7-4-12)19(25)14-5-8-26-11-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,20,24)(H,21,23)
InChIKeyPEMYXMXOTLUXRS-UHFFFAOYSA-N
XLogP2.01
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-(furan-3-carbonyl)-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 35706548
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
N-(4-chloro-3-nitrophenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048458
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441
1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 120882102
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide (CID 86872747) is 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide is O=C1NCc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc21.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide?
The InChIKey is PEMYXMXOTLUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17(21-15-2-1-13-10-20-18(24)16(13)9-15)12-3-6-22(7-4-12)19(25)14-5-8-26-11-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,20,24)(H,21,23).
What are the key properties of 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86872747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).