N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

C8H12F2N2O3 — CID 142439306

IUPACN-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCC(F)F
InChIInChI=1S/C8H12F2N2O3/c9-5(10)3-12-8(15)6-4(13)1-2-11-7(6)14/h4-6,13H,1-3H2,(H,11,14)(H,12,15)
InChIKeyFPGGQTFJWAMRPE-UHFFFAOYSA-N
MW222.19 g/mol
LogP-1.14
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439306) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439306
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC NameN-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCC(F)F
InChIInChI=1S/C8H12F2N2O3/c9-5(10)3-12-8(15)6-4(13)1-2-11-7(6)14/h4-6,13H,1-3H2,(H,11,14)(H,12,15)
InChIKeyFPGGQTFJWAMRPE-UHFFFAOYSA-N
XLogP-1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439306) is N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is O=C1NCCC(O)C1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is FPGGQTFJWAMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c9-5(10)3-12-8(15)6-4(13)1-2-11-7(6)14/h4-6,13H,1-3H2,(H,11,14)(H,12,15).
What are the key properties of N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).