N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C20H16F4N2O3 — CID 171903611

IUPACN-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cccc(F)c21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C20H16F4N2O3/c21-12-5-3-7-14-16(12)17(10-4-1-2-6-13(10)29-14)26-19(28)11-8-9-15(20(22,23)24)25-18(11)27/h1-7,11,15,17H,8-9H2,(H,25,27)(H,26,28)
InChIKeyNULHJEDXHNJJRC-UHFFFAOYSA-N
MW408.35 g/mol
LogP3.59
Rot. Bonds2

About N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903611) has the molecular formula C20H16F4N2O3 and a molecular weight of 408.35 g/mol. Its IUPAC name is N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903611
Molecular FormulaC20H16F4N2O3
Molecular Weight408.35 g/mol
Exact Mass408.11
IUPAC NameN-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cccc(F)c21)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C20H16F4N2O3/c21-12-5-3-7-14-16(12)17(10-4-1-2-6-13(10)29-14)26-19(28)11-8-9-15(20(22,23)24)25-18(11)27/h1-7,11,15,17H,8-9H2,(H,25,27)(H,26,28)
InChIKeyNULHJEDXHNJJRC-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903611) is N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC1c2ccccc2Oc2cccc(F)c21)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is NULHJEDXHNJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O3/c21-12-5-3-7-14-16(12)17(10-4-1-2-6-13(10)29-14)26-19(28)11-8-9-15(20(22,23)24)25-18(11)27/h1-7,11,15,17H,8-9H2,(H,25,27)(H,26,28).
What are the key properties of N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 408.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).