azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid

C48H46F6N6O7 — CID 159739600

IUPACazane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid
SMILESCN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(=O)O)ccc21.CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(N)=O)ccc21.N
InChIInChI=1S/C24H22F3N3O3.C24H21F3N2O4.H3N/c1-29-19-8-6-16(21(28)32)14-18(19)23(22(29)33)10-12-30(13-11-23)20(31)9-7-15-4-2-3-5-17(15)24(25,26)27;1-28-19-8-6-16(21(31)32)14-18(19)23(22(28)33)10-12-29(13-11-23)20(30)9-7-15-4-2-3-5-17(15)24(25,26)27;/h2-9,14H,10-13H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H,31,32);1H3/b2*9-7+;
InChIKeyHISKSYWSOOVGLY-OMWVKWIASA-N
MW932.92 g/mol
LogP7.47
Rot. Bonds6

About azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid

azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid (PubChem CID 159739600) has the molecular formula C48H46F6N6O7 and a molecular weight of 932.92 g/mol. Its IUPAC name is azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid.

Molecular Properties

Compound Nameazane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid
PubChem CID159739600
Molecular FormulaC48H46F6N6O7
Molecular Weight932.92 g/mol
Exact Mass932.33
IUPAC Nameazane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid
SMILESCN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(=O)O)ccc21.CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(N)=O)ccc21.N
InChIInChI=1S/C24H22F3N3O3.C24H21F3N2O4.H3N/c1-29-19-8-6-16(21(28)32)14-18(19)23(22(29)33)10-12-30(13-11-23)20(31)9-7-15-4-2-3-5-17(15)24(25,26)27;1-28-19-8-6-16(21(31)32)14-18(19)23(22(28)33)10-12-29(13-11-23)20(30)9-7-15-4-2-3-5-17(15)24(25,26)27;/h2-9,14H,10-13H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H,31,32);1H3/b2*9-7+;
InChIKeyHISKSYWSOOVGLY-OMWVKWIASA-N
XLogP7.47
TPSA196.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.92
LogP ≤ 57.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid?
The IUPAC name of azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid (CID 159739600) is azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid.
What is the SMILES notation for azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid?
The canonical SMILES for azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid is CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(=O)O)ccc21.CN1C(=O)C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2cc(C(N)=O)ccc21.N.
What is the InChIKey of azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid?
The InChIKey is HISKSYWSOOVGLY-OMWVKWIASA-N. The full InChI is InChI=1S/C24H22F3N3O3.C24H21F3N2O4.H3N/c1-29-19-8-6-16(21(28)32)14-18(19)23(22(29)33)10-12-30(13-11-23)20(31)9-7-15-4-2-3-5-17(15)24(25,26)27;1-28-19-8-6-16(21(31)32)14-18(19)23(22(28)33)10-12-29(13-11-23)20(30)9-7-15-4-2-3-5-17(15)24(25,26)27;/h2-9,14H,10-13H2,1H3,(H2,28,32);2-9,14H,10-13H2,1H3,(H,31,32);1H3/b2*9-7+;.
What are the key properties of azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid?
azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid has a molecular weight of 932.92 g/mol, XLogP of 7.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid is sourced from PubChem (CID 159739600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).