N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide

C23H25N3O6 — CID 108550040

IUPACN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccco4)CC3)cc2C1=O
InChIInChI=1S/C23H25N3O6/c1-31-12-3-9-26-22(29)17-6-5-15(14-18(17)23(26)30)21(28)25-10-7-16(8-11-25)24-20(27)19-4-2-13-32-19/h2,4-6,13-14,16H,3,7-12H2,1H3,(H,24,27)
InChIKeyCCSBUKWLVBQJIO-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.95
Rot. Bonds7

About N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 108550040) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID108550040
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccco4)CC3)cc2C1=O
InChIInChI=1S/C23H25N3O6/c1-31-12-3-9-26-22(29)17-6-5-15(14-18(17)23(26)30)21(28)25-10-7-16(8-11-25)24-20(27)19-4-2-13-32-19/h2,4-6,13-14,16H,3,7-12H2,1H3,(H,24,27)
InChIKeyCCSBUKWLVBQJIO-UHFFFAOYSA-N
XLogP1.95
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108544708
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 55688991
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674176
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
ethyl [4-[4-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930323
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
2-(3-methoxypropyl)-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108535074
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
2-(3-methoxypropyl)-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione
CID 9226443
5-[4-(2,2-dichloroacetyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108568345
2-(3-methoxypropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545927

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide (CID 108550040) is N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide is COCCCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccco4)CC3)cc2C1=O.
What is the InChIKey of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is CCSBUKWLVBQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-31-12-3-9-26-22(29)17-6-5-15(14-18(17)23(26)30)21(28)25-10-7-16(8-11-25)24-20(27)19-4-2-13-32-19/h2,4-6,13-14,16H,3,7-12H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108550040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).