1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C74H96FN13O5S2 — CID 158616715

IUPAC1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(=O)N1CC2(CCN(C3CCN(c4cnc(C)c(C)n4)CC3)CC2)c2ccccc21.CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(-c4ccsc4)cccc23)CC1.CN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H33N3O3S.C25H33N5O.C23H30FN5OS/c1-3-32-25(31)28-12-7-21(8-13-28)27-14-10-26(11-15-27)18-29(19(2)30)24-22(5-4-6-23(24)26)20-9-16-33-17-20;1-18-19(2)27-24(16-26-18)29-12-8-21(9-13-29)28-14-10-25(11-15-28)17-30(20(3)31)23-7-5-4-6-22(23)25;1-26(2)22(30)29-16-23(19-15-17(24)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)21-25-9-14-31-21/h4-6,9,16-17,21H,3,7-8,10-15,18H2,1-2H3;4-7,16,21H,8-15,17H2,1-3H3;3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3
InChIKeyHXMFWXVRZHVKDA-UHFFFAOYSA-N
MW1330.80 g/mol
LogP11.99
Rot. Bonds7

About 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 158616715) has the molecular formula C74H96FN13O5S2 and a molecular weight of 1330.80 g/mol. Its IUPAC name is 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID158616715
Molecular FormulaC74H96FN13O5S2
Molecular Weight1330.80 g/mol
Exact Mass1329.71
IUPAC Name1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCC(=O)N1CC2(CCN(C3CCN(c4cnc(C)c(C)n4)CC3)CC2)c2ccccc21.CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(-c4ccsc4)cccc23)CC1.CN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H33N3O3S.C25H33N5O.C23H30FN5OS/c1-3-32-25(31)28-12-7-21(8-13-28)27-14-10-26(11-15-27)18-29(19(2)30)24-22(5-4-6-23(24)26)20-9-16-33-17-20;1-18-19(2)27-24(16-26-18)29-12-8-21(9-13-29)28-14-10-25(11-15-28)17-30(20(3)31)23-7-5-4-6-22(23)25;1-26(2)22(30)29-16-23(19-15-17(24)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)21-25-9-14-31-21/h4-6,9,16-17,21H,3,7-8,10-15,18H2,1-2H3;4-7,16,21H,8-15,17H2,1-3H3;3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3
InChIKeyHXMFWXVRZHVKDA-UHFFFAOYSA-N
XLogP11.99
TPSA148.58 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.80
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 158616715) is 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CC(=O)N1CC2(CCN(C3CCN(c4cnc(C)c(C)n4)CC3)CC2)c2ccccc21.CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(-c4ccsc4)cccc23)CC1.CN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is HXMFWXVRZHVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S.C25H33N5O.C23H30FN5OS/c1-3-32-25(31)28-12-7-21(8-13-28)27-14-10-26(11-15-27)18-29(19(2)30)24-22(5-4-6-23(24)26)20-9-16-33-17-20;1-18-19(2)27-24(16-26-18)29-12-8-21(9-13-29)28-14-10-25(11-15-28)17-30(20(3)31)23-7-5-4-6-22(23)25;1-26(2)22(30)29-16-23(19-15-17(24)3-4-20(19)29)7-12-27(13-8-23)18-5-10-28(11-6-18)21-25-9-14-31-21/h4-6,9,16-17,21H,3,7-8,10-15,18H2,1-2H3;4-7,16,21H,8-15,17H2,1-3H3;3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3.
What are the key properties of 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 1330.80 g/mol, XLogP of 11.99, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[1-(5,6-dimethylpyrazin-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;ethyl 4-(1-acetyl-7-thiophen-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 158616715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).