N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H25ClFN3O — CID 59004048

IUPACN-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H25ClFN3O/c24-17-3-6-19(7-4-17)26-22(29)28-15-23(20-13-18(25)5-8-21(20)28)9-11-27(12-10-23)14-16-1-2-16/h3-8,13,16H,1-2,9-12,14-15H2,(H,26,29)
InChIKeyXVJVTHGHHDTTRL-UHFFFAOYSA-N
MW413.92 g/mol
LogP5.27
Rot. Bonds3

About N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59004048) has the molecular formula C23H25ClFN3O and a molecular weight of 413.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59004048
Molecular FormulaC23H25ClFN3O
Molecular Weight413.92 g/mol
Exact Mass413.17
IUPAC NameN-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H25ClFN3O/c24-17-3-6-19(7-4-17)26-22(29)28-15-23(20-13-18(25)5-8-21(20)28)9-11-27(12-10-23)14-16-1-2-16/h3-8,13,16H,1-2,9-12,14-15H2,(H,26,29)
InChIKeyXVJVTHGHHDTTRL-UHFFFAOYSA-N
XLogP5.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.92
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59004048) is N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is XVJVTHGHHDTTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O/c24-17-3-6-19(7-4-17)26-22(29)28-15-23(20-13-18(25)5-8-21(20)28)9-11-27(12-10-23)14-16-1-2-16/h3-8,13,16H,1-2,9-12,14-15H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 413.92 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59004048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).