N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide

C14H13FN2O3 — CID 77109535

IUPACN-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-9(2-5-10)3-7-12(18)16-11-6-8-13(19)17-14(11)20/h1-5,7,11H,6,8H2,(H,16,18)(H,17,19,20)
InChIKeyHQCHRJXCCRSYIQ-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.76
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide

N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 77109535) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID77109535
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-9(2-5-10)3-7-12(18)16-11-6-8-13(19)17-14(11)20/h1-5,7,11H,6,8H2,(H,16,18)(H,17,19,20)
InChIKeyHQCHRJXCCRSYIQ-UHFFFAOYSA-N
XLogP0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-fluorophenyl)-N-(2,6-dioxopiperidin-3-yl)prop-2-enamide
CID 77109826
3-(2-chloro-6-fluorophenyl)-N-(2,6-dioxopiperidin-3-yl)prop-2-enamide
CID 77109569
N-(2,6-dioxopiperidin-3-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 77109570
(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
CID 167480210
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 7678621
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide (CID 77109535) is N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is HQCHRJXCCRSYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-4-1-9(2-5-10)3-7-12(18)16-11-6-8-13(19)17-14(11)20/h1-5,7,11H,6,8H2,(H,16,18)(H,17,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide?
N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 276.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 77109535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).