N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C23H19F3N2O4 — CID 52688722

IUPACN-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)17-4-1-15(2-5-17)22(31)28-11-9-14(10-12-28)21(30)27-18-6-7-19-16(13-18)3-8-20(29)32-19/h1-8,13-14H,9-12H2,(H,27,30)
InChIKeyPTZOBRIMOLNEOK-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.30
Rot. Bonds3

About N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 52688722) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID52688722
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC NameN-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)17-4-1-15(2-5-17)22(31)28-11-9-14(10-12-28)21(30)27-18-6-7-19-16(13-18)3-8-20(29)32-19/h1-8,13-14H,9-12H2,(H,27,30)
InChIKeyPTZOBRIMOLNEOK-UHFFFAOYSA-N
XLogP4.30
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55652632
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 42153498
N-(6-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 58016180
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26129115
N-(2-oxochromen-6-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 52688740
(3S)-5-oxo-N-(2-oxochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42571043
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 52688722) is N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is PTZOBRIMOLNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c24-23(25,26)17-4-1-15(2-5-17)22(31)28-11-9-14(10-12-28)21(30)27-18-6-7-19-16(13-18)3-8-20(29)32-19/h1-8,13-14H,9-12H2,(H,27,30).
What are the key properties of N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 52688722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).