(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride

C17H24Cl3N3O — CID 127022715

IUPAC(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O.2ClH/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14;;/h3-4,10,14,19-20H,1-2,5-9,11H2;2*1H/t14-;;/m1../s1
InChIKeyQIYOMDYFRVJYOJ-FMOMHUKBSA-N
MW392.76 g/mol
LogP2.90
Rot. Bonds1

About (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride

(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride (PubChem CID 127022715) has the molecular formula C17H24Cl3N3O and a molecular weight of 392.76 g/mol. Its IUPAC name is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride
PubChem CID127022715
Molecular FormulaC17H24Cl3N3O
Molecular Weight392.76 g/mol
Exact Mass391.10
IUPAC Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O.2ClH/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14;;/h3-4,10,14,19-20H,1-2,5-9,11H2;2*1H/t14-;;/m1../s1
InChIKeyQIYOMDYFRVJYOJ-FMOMHUKBSA-N
XLogP2.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride?
The IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride (CID 127022715) is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride is Cl.Cl.O=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride?
The InChIKey is QIYOMDYFRVJYOJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C17H22ClN3O.2ClH/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14;;/h3-4,10,14,19-20H,1-2,5-9,11H2;2*1H/t14-;;/m1../s1.
What are the key properties of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride?
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride has a molecular weight of 392.76 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 127022715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).