N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C16H17F3N2O3 — CID 171903738

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)13-7-5-10(15(24)21-13)14(23)20-11-6-4-9-8(11)2-1-3-12(9)22/h1-3,10-11,13,22H,4-7H2,(H,20,23)(H,21,24)
InChIKeyBDBLXENHQOYNQZ-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.95
Rot. Bonds2

About N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903738) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903738
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)13-7-5-10(15(24)21-13)14(23)20-11-6-4-9-8(11)2-1-3-12(9)22/h1-3,10-11,13,22H,4-7H2,(H,20,23)(H,21,24)
InChIKeyBDBLXENHQOYNQZ-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.95
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-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903738) is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC1CCc2c(O)cccc21)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is BDBLXENHQOYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)13-7-5-10(15(24)21-13)14(23)20-11-6-4-9-8(11)2-1-3-12(9)22/h1-3,10-11,13,22H,4-7H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).