4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

C23H20N4O4 — CID 56859365

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
SMILESO=C(c1ccco1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1
InChIInChI=1S/C23H20N4O4/c28-21-17-3-1-4-18(20(17)23(30)27(21)15-16-6-8-24-9-7-16)25-10-12-26(13-11-25)22(29)19-5-2-14-31-19/h1-9,14H,10-13,15H2
InChIKeyLGGZDORMQMOEPV-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.43
Rot. Bonds4

About 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione (PubChem CID 56859365) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
PubChem CID56859365
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
SMILESO=C(c1ccco1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1
InChIInChI=1S/C23H20N4O4/c28-21-17-3-1-4-18(20(17)23(30)27(21)15-16-6-8-24-9-7-16)25-10-12-26(13-11-25)22(29)19-5-2-14-31-19/h1-9,14H,10-13,15H2
InChIKeyLGGZDORMQMOEPV-UHFFFAOYSA-N
XLogP2.43
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-(quinolin-3-ylmethyl)isoindole-1,3-dione
CID 98343818
4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
CID 42484305
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone
CID 20875746
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113202549
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]piperazin-1-yl]isoindole-1,3-dione
CID 45224342
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione (CID 56859365) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione is O=C(c1ccco1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
The InChIKey is LGGZDORMQMOEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-21-17-3-1-4-18(20(17)23(30)27(21)15-16-6-8-24-9-7-16)25-10-12-26(13-11-25)22(29)19-5-2-14-31-19/h1-9,14H,10-13,15H2.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione has a molecular weight of 416.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 56859365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).