1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C49H65N9O2S — CID 159630790

IUPAC1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C3CCN(c4cncc(CC(C)C)n4)CC3)CC2)c2ccccc21.CC(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H37N5O.C22H28N4OS/c1-20(2)16-22-17-28-18-26(29-22)31-12-8-23(9-13-31)30-14-10-27(11-15-30)19-32(21(3)33)25-7-5-4-6-24(25)27;1-17(27)26-16-22(19-4-2-3-5-20(19)26)8-13-24(14-9-22)18-6-11-25(12-7-18)21-23-10-15-28-21/h4-7,17-18,20,23H,8-16,19H2,1-3H3;2-5,10,15,18H,6-9,11-14,16H2,1H3
InChIKeyMPCFLTZXTDFHGB-UHFFFAOYSA-N
MW844.19 g/mol
LogP7.56
Rot. Bonds6

About 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 159630790) has the molecular formula C49H65N9O2S and a molecular weight of 844.19 g/mol. Its IUPAC name is 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
PubChem CID159630790
Molecular FormulaC49H65N9O2S
Molecular Weight844.19 g/mol
Exact Mass843.50
IUPAC Name1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C3CCN(c4cncc(CC(C)C)n4)CC3)CC2)c2ccccc21.CC(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H37N5O.C22H28N4OS/c1-20(2)16-22-17-28-18-26(29-22)31-12-8-23(9-13-31)30-14-10-27(11-15-30)19-32(21(3)33)25-7-5-4-6-24(25)27;1-17(27)26-16-22(19-4-2-3-5-20(19)26)8-13-24(14-9-22)18-6-11-25(12-7-18)21-23-10-15-28-21/h4-7,17-18,20,23H,8-16,19H2,1-3H3;2-5,10,15,18H,6-9,11-14,16H2,1H3
InChIKeyMPCFLTZXTDFHGB-UHFFFAOYSA-N
XLogP7.56
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.19
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 159630790) is 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(C3CCN(c4cncc(CC(C)C)n4)CC3)CC2)c2ccccc21.CC(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2ccccc21.
What is the InChIKey of 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is MPCFLTZXTDFHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O.C22H28N4OS/c1-20(2)16-22-17-28-18-26(29-22)31-12-8-23(9-13-31)30-14-10-27(11-15-30)19-32(21(3)33)25-7-5-4-6-24(25)27;1-17(27)26-16-22(19-4-2-3-5-20(19)26)8-13-24(14-9-22)18-6-11-25(12-7-18)21-23-10-15-28-21/h4-7,17-18,20,23H,8-16,19H2,1-3H3;2-5,10,15,18H,6-9,11-14,16H2,1H3.
What are the key properties of 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 844.19 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[1-[6-(2-methylpropyl)pyrazin-2-yl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1-[1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 159630790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).