4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide

C103H110ClF9N8O13S — CID 160734923

IUPAC4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[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(S(=O)(=O)Cl)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccccc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C27H29F3N2O3.C26H26ClF3N2O5S.C26H27F3N2O3.C24H28N2O2/c1-4-31(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;1-3-31(4-2)23(33)18-7-5-17(6-8-18)21-16-25(11-13-32(14-12-25)24(34)26(28,29)30)37-22-10-9-19(15-20(21)22)38(27,35)36;1-3-30(4-2)23(32)19-11-9-18(10-12-19)21-17-25(34-22-8-6-5-7-20(21)22)13-15-31(16-14-25)24(33)26(27,28)29;1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,3-4,11-14H2,1-2H3;5-12,17H,3-4,13-16H2,1-2H3;5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyRUVAXOFDALWULE-UHFFFAOYSA-N
MW1906.56 g/mol
LogP19.10
Rot. Bonds17

About 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide

4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide (PubChem CID 160734923) has the molecular formula C103H110ClF9N8O13S and a molecular weight of 1906.56 g/mol. Its IUPAC name is 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide.

Molecular Properties

Compound Name4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide
PubChem CID160734923
Molecular FormulaC103H110ClF9N8O13S
Molecular Weight1906.56 g/mol
Exact Mass1904.75
IUPAC Name4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[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(S(=O)(=O)Cl)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccccc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C27H29F3N2O3.C26H26ClF3N2O5S.C26H27F3N2O3.C24H28N2O2/c1-4-31(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;1-3-31(4-2)23(33)18-7-5-17(6-8-18)21-16-25(11-13-32(14-12-25)24(34)26(28,29)30)37-22-10-9-19(15-20(21)22)38(27,35)36;1-3-30(4-2)23(32)19-11-9-18(10-12-19)21-17-25(34-22-8-6-5-7-20(21)22)13-15-31(16-14-25)24(33)26(27,28)29;1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,3-4,11-14H2,1-2H3;5-12,17H,3-4,13-16H2,1-2H3;5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyRUVAXOFDALWULE-UHFFFAOYSA-N
XLogP19.10
TPSA225.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.56
LogP ≤ 519.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[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-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide (CID 160734923) is 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide.
What is the SMILES notation for 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The canonical SMILES for 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[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(S(=O)(=O)Cl)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)C(F)(F)F)CC3)Oc3ccccc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The InChIKey is RUVAXOFDALWULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O3.C26H26ClF3N2O5S.C26H27F3N2O3.C24H28N2O2/c1-4-31(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;1-3-31(4-2)23(33)18-7-5-17(6-8-18)21-16-25(11-13-32(14-12-25)24(34)26(28,29)30)37-22-10-9-19(15-20(21)22)38(27,35)36;1-3-30(4-2)23(32)19-11-9-18(10-12-19)21-17-25(34-22-8-6-5-7-20(21)22)13-15-31(16-14-25)24(33)26(27,28)29;1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,3-4,11-14H2,1-2H3;5-12,17H,3-4,13-16H2,1-2H3;5-12,17,25H,3-4,13-16H2,1-2H3.
What are the key properties of 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide has a molecular weight of 1906.56 g/mol, XLogP of 19.10, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide is sourced from PubChem (CID 160734923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).