(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

C18H23N5O3 — CID 71105199

IUPAC(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)/C(=C/c2ccnc(N3CCC(N4CCOCC4)CC3)n2)N1
InChIInChI=1S/C18H23N5O3/c24-16-12-17(25)21-15(16)11-13-1-4-19-18(20-13)23-5-2-14(3-6-23)22-7-9-26-10-8-22/h1,4,11,14H,2-3,5-10,12H2,(H,21,25)/b15-11-
InChIKeyOOPGQVUXJAALRV-PTNGSMBKSA-N
MW357.41 g/mol
LogP0.21
Rot. Bonds3

About (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione (PubChem CID 71105199) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
PubChem CID71105199
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)/C(=C/c2ccnc(N3CCC(N4CCOCC4)CC3)n2)N1
InChIInChI=1S/C18H23N5O3/c24-16-12-17(25)21-15(16)11-13-1-4-19-18(20-13)23-5-2-14(3-6-23)22-7-9-26-10-8-22/h1,4,11,14H,2-3,5-10,12H2,(H,21,25)/b15-11-
InChIKeyOOPGQVUXJAALRV-PTNGSMBKSA-N
XLogP0.21
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione (CID 71105199) is (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione is O=C1CC(=O)/C(=C/c2ccnc(N3CCC(N4CCOCC4)CC3)n2)N1.
What is the InChIKey of (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?
The InChIKey is OOPGQVUXJAALRV-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-16-12-17(25)21-15(16)11-13-1-4-19-18(20-13)23-5-2-14(3-6-23)22-7-9-26-10-8-22/h1,4,11,14H,2-3,5-10,12H2,(H,21,25)/b15-11-.
What are the key properties of (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione?
(5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 71105199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).