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

C26H32FN5O2 — CID 59433574

IUPAC5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4ccccn4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H32FN5O2/c1-29(2)25(34)32-18-26(21-17-19(27)6-7-23(21)32)10-15-30(16-11-26)20-8-13-31(14-9-20)24(33)22-5-3-4-12-28-22/h3-7,12,17,20H,8-11,13-16,18H2,1-2H3
InChIKeyAVCXJFKFTWGBJG-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.36
Rot. Bonds2

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

5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59433574) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59433574
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4ccccn4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H32FN5O2/c1-29(2)25(34)32-18-26(21-17-19(27)6-7-23(21)32)10-15-30(16-11-26)20-8-13-31(14-9-20)24(33)22-5-3-4-12-28-22/h3-7,12,17,20H,8-11,13-16,18H2,1-2H3
InChIKeyAVCXJFKFTWGBJG-UHFFFAOYSA-N
XLogP3.36
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59433574) is 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)c4ccccn4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is AVCXJFKFTWGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-29(2)25(34)32-18-26(21-17-19(27)6-7-23(21)32)10-15-30(16-11-26)20-8-13-31(14-9-20)24(33)22-5-3-4-12-28-22/h3-7,12,17,20H,8-11,13-16,18H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59433574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).