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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Related Compounds

N-[2-(azetidin-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903885
2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903894
N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904083
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904031
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
N-(3,6-dichloro-9H-xanthen-9-yl)-2-oxo-5-propyl-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903594
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide
CID 110014439
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363

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).