(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

C21H20ClN3O — CID 59657691

IUPAC(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2
InChIKeyHKQVHJRZJYPGJU-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.42
Rot. Bonds1

About (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (PubChem CID 59657691) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
PubChem CID59657691
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2
InChIKeyHKQVHJRZJYPGJU-UHFFFAOYSA-N
XLogP4.42
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (CID 59657691) is (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is HKQVHJRZJYPGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2.
What are the key properties of (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 365.86 g/mol, XLogP of 4.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 59657691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).