(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate

C20H25FN4O5 — CID 71744888

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1
InChIInChI=1S/C20H25FN4O5/c21-17-13-16(23-9-11-29-12-10-23)2-1-15(17)14-22-5-7-24(8-6-22)20(28)30-25-18(26)3-4-19(25)27/h1-2,13H,3-12,14H2
InChIKeyCGNKQNOQGZWEIP-UHFFFAOYSA-N
MW420.44 g/mol
LogP0.98
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate (PubChem CID 71744888) has the molecular formula C20H25FN4O5 and a molecular weight of 420.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
PubChem CID71744888
Molecular FormulaC20H25FN4O5
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1
InChIInChI=1S/C20H25FN4O5/c21-17-13-16(23-9-11-29-12-10-23)2-1-15(17)14-22-5-7-24(8-6-22)20(28)30-25-18(26)3-4-19(25)27/h1-2,13H,3-12,14H2
InChIKeyCGNKQNOQGZWEIP-UHFFFAOYSA-N
XLogP0.98
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate (CID 71744888) is (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate is O=C(ON1C(=O)CCC1=O)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is CGNKQNOQGZWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5/c21-17-13-16(23-9-11-29-12-10-23)2-1-15(17)14-22-5-7-24(8-6-22)20(28)30-25-18(26)3-4-19(25)27/h1-2,13H,3-12,14H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 420.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 71744888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).