ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide

C12H19F3N2O3 — CID 142439238

IUPACethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide
SMILESCC.O=C1NCCC(O)C1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O3.C2H6/c11-10(12,13)9(2-3-9)15-8(18)6-5(16)1-4-14-7(6)17;1-2/h5-6,16H,1-4H2,(H,14,17)(H,15,18);1-2H3
InChIKeyXSNYHCNDIVBLLB-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.72
Rot. Bonds2

About ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide

ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide (PubChem CID 142439238) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Nameethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide
PubChem CID142439238
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Nameethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide
SMILESCC.O=C1NCCC(O)C1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O3.C2H6/c11-10(12,13)9(2-3-9)15-8(18)6-5(16)1-4-14-7(6)17;1-2/h5-6,16H,1-4H2,(H,14,17)(H,15,18);1-2H3
InChIKeyXSNYHCNDIVBLLB-UHFFFAOYSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.72
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 ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide?
The IUPAC name of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide (CID 142439238) is ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide.
What is the SMILES notation for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide?
The canonical SMILES for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide is CC.O=C1NCCC(O)C1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide?
The InChIKey is XSNYHCNDIVBLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3.C2H6/c11-10(12,13)9(2-3-9)15-8(18)6-5(16)1-4-14-7(6)17;1-2/h5-6,16H,1-4H2,(H,14,17)(H,15,18);1-2H3.
What are the key properties of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide?
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 142439238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).