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

C9H13FN2O3 — CID 142439254

IUPACN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NC1(F)CC1
InChIInChI=1S/C9H13FN2O3/c10-9(2-3-9)12-8(15)6-5(13)1-4-11-7(6)14/h5-6,13H,1-4H2,(H,11,14)(H,12,15)
InChIKeyKMXVVYXPKJRVDI-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.94
Rot. Bonds2

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

N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439254) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439254
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NC1(F)CC1
InChIInChI=1S/C9H13FN2O3/c10-9(2-3-9)12-8(15)6-5(13)1-4-11-7(6)14/h5-6,13H,1-4H2,(H,11,14)(H,12,15)
InChIKeyKMXVVYXPKJRVDI-UHFFFAOYSA-N
XLogP-0.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.94
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-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439254) is N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is O=C1NCCC(O)C1C(=O)NC1(F)CC1.
What is the InChIKey of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is KMXVVYXPKJRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c10-9(2-3-9)12-8(15)6-5(13)1-4-11-7(6)14/h5-6,13H,1-4H2,(H,11,14)(H,12,15).
What are the key properties of N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 216.21 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).