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

C25H32F4N4O2 — CID 59433277

IUPAC5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H32F4N4O2/c1-30(2)22(35)33-16-23(19-15-17(26)3-4-20(19)33)9-13-31(14-10-23)18-5-11-32(12-6-18)21(34)24(7-8-24)25(27,28)29/h3-4,15,18H,5-14,16H2,1-2H3
InChIKeyQNUAPXRBLVASNS-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.99
Rot. Bonds2

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

5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59433277) has the molecular formula C25H32F4N4O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59433277
Molecular FormulaC25H32F4N4O2
Molecular Weight496.55 g/mol
Exact Mass496.25
IUPAC Name5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H32F4N4O2/c1-30(2)22(35)33-16-23(19-15-17(26)3-4-20(19)33)9-13-31(14-10-23)18-5-11-32(12-6-18)21(34)24(7-8-24)25(27,28)29/h3-4,15,18H,5-14,16H2,1-2H3
InChIKeyQNUAPXRBLVASNS-UHFFFAOYSA-N
XLogP3.99
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59433277) is 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]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-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4(C(F)(F)F)CC4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is QNUAPXRBLVASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F4N4O2/c1-30(2)22(35)33-16-23(19-15-17(26)3-4-20(19)33)9-13-31(14-10-23)18-5-11-32(12-6-18)21(34)24(7-8-24)25(27,28)29/h3-4,15,18H,5-14,16H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59433277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).