2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione

C25H26FN3O4 — CID 118757020

IUPAC2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione
SMILESO=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1)N1CCOCC1
InChIInChI=1S/C25H26FN3O4/c26-19-4-1-3-17(15-19)16-29-24(31)20-5-2-6-21(22(20)25(29)32)27-9-7-18(8-10-27)23(30)28-11-13-33-14-12-28/h1-6,15,18H,7-14,16H2
InChIKeyQULOHLKXNDDXCS-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.70
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione

2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione (PubChem CID 118757020) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione
PubChem CID118757020
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione
SMILESO=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1)N1CCOCC1
InChIInChI=1S/C25H26FN3O4/c26-19-4-1-3-17(15-19)16-29-24(31)20-5-2-6-21(22(20)25(29)32)27-9-7-18(8-10-27)23(30)28-11-13-33-14-12-28/h1-6,15,18H,7-14,16H2
InChIKeyQULOHLKXNDDXCS-UHFFFAOYSA-N
XLogP2.70
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione (CID 118757020) is 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione is O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1)N1CCOCC1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione?
The InChIKey is QULOHLKXNDDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c26-19-4-1-3-17(15-19)16-29-24(31)20-5-2-6-21(22(20)25(29)32)27-9-7-18(8-10-27)23(30)28-11-13-33-14-12-28/h1-6,15,18H,7-14,16H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione?
2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 451.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 118757020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).