5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H30FN5OS — CID 23651433

IUPAC5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN5OS/c1-26(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/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3
InChIKeyCSRMUXSCEDABNI-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.79
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

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 23651433) has the molecular formula C23H30FN5OS and a molecular weight of 443.59 g/mol. Its IUPAC name is 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 Name5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651433
Molecular FormulaC23H30FN5OS
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN5OS/c1-26(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/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3
InChIKeyCSRMUXSCEDABNI-UHFFFAOYSA-N
XLogP3.79
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651433) is 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 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 5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4nccs4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 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 CSRMUXSCEDABNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5OS/c1-26(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/h3-4,9,14-15,18H,5-8,10-13,16H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
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 443.59 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 23651433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).