4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide

C9H13F3N2O3 — CID 142439312

IUPAC4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)2-4-14-8(17)6-5(15)1-3-13-7(6)16/h5-6,15H,1-4H2,(H,13,16)(H,14,17)
InChIKeyDXUMDPAOUDGWTB-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.45
Rot. Bonds3

About 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide

4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide (PubChem CID 142439312) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
PubChem CID142439312
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)2-4-14-8(17)6-5(15)1-3-13-7(6)16/h5-6,15H,1-4H2,(H,13,16)(H,14,17)
InChIKeyDXUMDPAOUDGWTB-UHFFFAOYSA-N
XLogP-0.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.45
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 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide (CID 142439312) is 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide is O=C1NCCC(O)C1C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide?
The InChIKey is DXUMDPAOUDGWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)2-4-14-8(17)6-5(15)1-3-13-7(6)16/h5-6,15H,1-4H2,(H,13,16)(H,14,17).
What are the key properties of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide?
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide has a molecular weight of 254.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide is sourced from PubChem (CID 142439312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).