1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H26FN3O — CID 23877217

IUPAC1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)Nc1cccc(F)c1
InChIInChI=1S/C23H26FN3O/c1-16-5-8-21-20(13-16)23(9-11-26(12-10-23)19-6-7-19)15-27(21)22(28)25-18-4-2-3-17(24)14-18/h2-5,8,13-14,19H,6-7,9-12,15H2,1H3,(H,25,28)
InChIKeyPEEPIFHYARWHTC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.68
Rot. Bonds2

About 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23877217) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23877217
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)Nc1cccc(F)c1
InChIInChI=1S/C23H26FN3O/c1-16-5-8-21-20(13-16)23(9-11-26(12-10-23)19-6-7-19)15-27(21)22(28)25-18-4-2-3-17(24)14-18/h2-5,8,13-14,19H,6-7,9-12,15H2,1H3,(H,25,28)
InChIKeyPEEPIFHYARWHTC-UHFFFAOYSA-N
XLogP4.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23877217) is 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1ccc2c(c1)C1(CCN(C3CC3)CC1)CN2C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is PEEPIFHYARWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-5-8-21-20(13-16)23(9-11-26(12-10-23)19-6-7-19)15-27(21)22(28)25-18-4-2-3-17(24)14-18/h2-5,8,13-14,19H,6-7,9-12,15H2,1H3,(H,25,28).
What are the key properties of 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23877217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).