N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

C9H15FN2O3 — CID 142439242

IUPACN-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)NC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C9H15FN2O3/c1-2-6(10)12-9(15)7-5(13)3-4-11-8(7)14/h5-7,13H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyOLOGTPNCEJLVIG-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.69
Rot. Bonds3

About N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439242) has the molecular formula C9H15FN2O3 and a molecular weight of 218.23 g/mol. Its IUPAC name is N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439242
Molecular FormulaC9H15FN2O3
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC NameN-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)NC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C9H15FN2O3/c1-2-6(10)12-9(15)7-5(13)3-4-11-8(7)14/h5-7,13H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyOLOGTPNCEJLVIG-UHFFFAOYSA-N
XLogP-0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439242) is N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is CCC(F)NC(=O)C1C(=O)NCCC1O.
What is the InChIKey of N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is OLOGTPNCEJLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O3/c1-2-6(10)12-9(15)7-5(13)3-4-11-8(7)14/h5-7,13H,2-4H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 218.23 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).