1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H26FN3O2 — CID 23959515

IUPAC1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H26FN3O2/c1-29-19-7-3-17(4-8-19)25-22(28)27-15-23(20-14-16(24)2-9-21(20)27)10-12-26(13-11-23)18-5-6-18/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,25,28)
InChIKeyKKWGGWURQFMLLR-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.38
Rot. Bonds3

About 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23959515) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23959515
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C23H26FN3O2/c1-29-19-7-3-17(4-8-19)25-22(28)27-15-23(20-14-16(24)2-9-21(20)27)10-12-26(13-11-23)18-5-6-18/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,25,28)
InChIKeyKKWGGWURQFMLLR-UHFFFAOYSA-N
XLogP4.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23959515) is 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is COc1ccc(NC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is KKWGGWURQFMLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-19-7-3-17(4-8-19)25-22(28)27-15-23(20-14-16(24)2-9-21(20)27)10-12-26(13-11-23)18-5-6-18/h2-4,7-9,14,18H,5-6,10-13,15H2,1H3,(H,25,28).
What are the key properties of 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23959515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).