4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide

C55H59F6N5O7 — CID 90953984

IUPAC4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(C)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(NC(C)=O)cc32)cc1
InChIInChI=1S/C28H30F3N3O4.C27H29F3N2O3/c1-4-33(5-2)25(36)20-8-6-19(7-9-20)23-17-27(12-14-34(15-13-27)26(37)28(29,30)31)38-24-11-10-21(16-22(23)24)32-18(3)35;1-4-31(5-2)24(33)20-9-7-19(8-10-20)22-17-26(35-23-11-6-18(3)16-21(22)23)12-14-32(15-13-26)25(34)27(28,29)30/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,32,35);6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyUTRWGLKSEYWELF-UHFFFAOYSA-N
MW1016.09 g/mol
LogP10.10
Rot. Bonds9

About 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide

4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide (PubChem CID 90953984) has the molecular formula C55H59F6N5O7 and a molecular weight of 1016.09 g/mol. Its IUPAC name is 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide
PubChem CID90953984
Molecular FormulaC55H59F6N5O7
Molecular Weight1016.09 g/mol
Exact Mass1015.43
IUPAC Name4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(C)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(NC(C)=O)cc32)cc1
InChIInChI=1S/C28H30F3N3O4.C27H29F3N2O3/c1-4-33(5-2)25(36)20-8-6-19(7-9-20)23-17-27(12-14-34(15-13-27)26(37)28(29,30)31)38-24-11-10-21(16-22(23)24)32-18(3)35;1-4-31(5-2)24(33)20-9-7-19(8-10-20)22-17-26(35-23-11-6-18(3)16-21(22)23)12-14-32(15-13-26)25(34)27(28,29)30/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,32,35);6-11,16-17H,4-5,12-15H2,1-3H3
InChIKeyUTRWGLKSEYWELF-UHFFFAOYSA-N
XLogP10.10
TPSA128.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.09
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The IUPAC name of 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide (CID 90953984) is 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide.
What is the SMILES notation for 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The canonical SMILES for 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(C)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccc(NC(C)=O)cc32)cc1.
What is the InChIKey of 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The InChIKey is UTRWGLKSEYWELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O4.C27H29F3N2O3/c1-4-33(5-2)25(36)20-8-6-19(7-9-20)23-17-27(12-14-34(15-13-27)26(37)28(29,30)31)38-24-11-10-21(16-22(23)24)32-18(3)35;1-4-31(5-2)24(33)20-9-7-19(8-10-20)22-17-26(35-23-11-6-18(3)16-21(22)23)12-14-32(15-13-26)25(34)27(28,29)30/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,32,35);6-11,16-17H,4-5,12-15H2,1-3H3.
What are the key properties of 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide has a molecular weight of 1016.09 g/mol, XLogP of 10.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-acetamido-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide is sourced from PubChem (CID 90953984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).