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

C27H33ClN4O — CID 15952415

IUPAC[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCCN(CC)CCn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C27H33ClN4O/c1-3-30(4-2)15-16-32-18-22(21-10-9-20(28)17-25(21)32)26(33)31-13-11-27(12-14-31)19-29-24-8-6-5-7-23(24)27/h5-10,17-18,29H,3-4,11-16,19H2,1-2H3
InChIKeyOFEVOKUHRSSUAU-UHFFFAOYSA-N
MW465.04 g/mol
LogP5.24
Rot. Bonds6

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

[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (PubChem CID 15952415) has the molecular formula C27H33ClN4O and a molecular weight of 465.04 g/mol. Its IUPAC name is [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
PubChem CID15952415
Molecular FormulaC27H33ClN4O
Molecular Weight465.04 g/mol
Exact Mass464.23
IUPAC Name[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCCN(CC)CCn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C27H33ClN4O/c1-3-30(4-2)15-16-32-18-22(21-10-9-20(28)17-25(21)32)26(33)31-13-11-27(12-14-31)19-29-24-8-6-5-7-23(24)27/h5-10,17-18,29H,3-4,11-16,19H2,1-2H3
InChIKeyOFEVOKUHRSSUAU-UHFFFAOYSA-N
XLogP5.24
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (CID 15952415) is [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is CCN(CC)CCn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21.
What is the InChIKey of [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is OFEVOKUHRSSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O/c1-3-30(4-2)15-16-32-18-22(21-10-9-20(28)17-25(21)32)26(33)31-13-11-27(12-14-31)19-29-24-8-6-5-7-23(24)27/h5-10,17-18,29H,3-4,11-16,19H2,1-2H3.
What are the key properties of [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 465.04 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 15952415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).