N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide

C11H14F2N2O3 — CID 114094437

IUPACN-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C1CCC(NC(=O)C2CCC(F)(F)C2)C(=O)N1
InChIInChI=1S/C11H14F2N2O3/c12-11(13)4-3-6(5-11)9(17)14-7-1-2-8(16)15-10(7)18/h6-7H,1-5H2,(H,14,17)(H,15,16,18)
InChIKeyPRKKJISPKXLKBB-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.34
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide

N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114094437) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114094437
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C1CCC(NC(=O)C2CCC(F)(F)C2)C(=O)N1
InChIInChI=1S/C11H14F2N2O3/c12-11(13)4-3-6(5-11)9(17)14-7-1-2-8(16)15-10(7)18/h6-7H,1-5H2,(H,14,17)(H,15,16,18)
InChIKeyPRKKJISPKXLKBB-UHFFFAOYSA-N
XLogP0.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
CID 110462006
N-(2,6-dioxopiperidin-3-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103822664
(2R)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 104901222
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 146129255
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
CID 167480210
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
2-(2-aminoethoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 79478388

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide (CID 114094437) is N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide is O=C1CCC(NC(=O)C2CCC(F)(F)C2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is PRKKJISPKXLKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-11(13)4-3-6(5-11)9(17)14-7-1-2-8(16)15-10(7)18/h6-7H,1-5H2,(H,14,17)(H,15,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 260.24 g/mol, XLogP of 0.34, 2 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)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114094437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).