2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide

C23H21F3N2O3 — CID 171903894

IUPAC2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESC=CCc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)c1ccccc1O2
InChIInChI=1S/C23H21F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h2-4,6-8,10,12,15,19-20H,1,5,9,11H2,(H,27,29)(H,28,30)
InChIKeySCPKDPCXGIZRQP-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.18
Rot. Bonds4

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

2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903894) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903894
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESC=CCc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)c1ccccc1O2
InChIInChI=1S/C23H21F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h2-4,6-8,10,12,15,19-20H,1,5,9,11H2,(H,27,29)(H,28,30)
InChIKeySCPKDPCXGIZRQP-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azetidin-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903885
N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903611
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide
CID 110014439
N-(3,6-dichloro-9H-xanthen-9-yl)-2-oxo-5-propyl-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903594
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
2-oxo-N-[3-(2,2,2-trifluoroethyl)-9H-xanthen-9-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464634
2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate
CID 56547669
N-prop-2-enyl-9H-xanthen-9-amine
CID 43344194
2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903659
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903894) is 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is C=CCc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)c1ccccc1O2.
What is the InChIKey of 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SCPKDPCXGIZRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-2-5-13-8-10-18-16(12-13)20(14-6-3-4-7-17(14)31-18)28-22(30)15-9-11-19(23(24,25)26)27-21(15)29/h2-4,6-8,10,12,15,19-20H,1,5,9,11H2,(H,27,29)(H,28,30).
What are the key properties of 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-prop-2-enyl-9H-xanthen-9-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).