(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide

C15H17FN2O4 — CID 171510961

IUPAC(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide
SMILESC=C/C(F)=C(C(=O)N(C)C1CCC(=O)NC1=O)\C(C=O)=C/C
InChIInChI=1S/C15H17FN2O4/c1-4-9(8-19)13(10(16)5-2)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,2,6-7H2,1,3H3,(H,17,20,21)/b9-4-,13-10-
InChIKeyDPQZHAVMSRDRFZ-VWWJVVRCSA-N
MW308.31 g/mol
LogP0.80
Rot. Bonds5

About (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide

(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide (PubChem CID 171510961) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide
PubChem CID171510961
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide
SMILESC=C/C(F)=C(C(=O)N(C)C1CCC(=O)NC1=O)\C(C=O)=C/C
InChIInChI=1S/C15H17FN2O4/c1-4-9(8-19)13(10(16)5-2)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,2,6-7H2,1,3H3,(H,17,20,21)/b9-4-,13-10-
InChIKeyDPQZHAVMSRDRFZ-VWWJVVRCSA-N
XLogP0.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide?
The IUPAC name of (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide (CID 171510961) is (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide is C=C/C(F)=C(C(=O)N(C)C1CCC(=O)NC1=O)\C(C=O)=C/C.
What is the InChIKey of (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide?
The InChIKey is DPQZHAVMSRDRFZ-VWWJVVRCSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-4-9(8-19)13(10(16)5-2)15(22)18(3)11-6-7-12(20)17-14(11)21/h4-5,8,11H,2,6-7H2,1,3H3,(H,17,20,21)/b9-4-,13-10-.
What are the key properties of (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide?
(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide has a molecular weight of 308.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 171510961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).