[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride

C18H27Cl2N3O2 — CID 163334344

IUPAC[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H](C(=O)N2CCC3(CC2)CNc2ccccc23)C[C@H]1O
InChIInChI=1S/C18H25N3O2.2ClH/c19-14-9-12(10-16(14)22)17(23)21-7-5-18(6-8-21)11-20-15-4-2-1-3-13(15)18;;/h1-4,12,14,16,20,22H,5-11,19H2;2*1H/t12-,14+,16+;;/m0../s1
InChIKeyHRPYAEZUKJBZFG-LYPWCXFOSA-N
MW388.34 g/mol
LogP1.91
Rot. Bonds1

About [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride

[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride (PubChem CID 163334344) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
PubChem CID163334344
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H](C(=O)N2CCC3(CC2)CNc2ccccc23)C[C@H]1O
InChIInChI=1S/C18H25N3O2.2ClH/c19-14-9-12(10-16(14)22)17(23)21-7-5-18(6-8-21)11-20-15-4-2-1-3-13(15)18;;/h1-4,12,14,16,20,22H,5-11,19H2;2*1H/t12-,14+,16+;;/m0../s1
InChIKeyHRPYAEZUKJBZFG-LYPWCXFOSA-N
XLogP1.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
CID 175894730
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
CID 77096966
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 118777229
(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 167825931

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride?
The IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride (CID 163334344) is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride is Cl.Cl.N[C@@H]1C[C@H](C(=O)N2CCC3(CC2)CNc2ccccc23)C[C@H]1O.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride?
The InChIKey is HRPYAEZUKJBZFG-LYPWCXFOSA-N. The full InChI is InChI=1S/C18H25N3O2.2ClH/c19-14-9-12(10-16(14)22)17(23)21-7-5-18(6-8-21)11-20-15-4-2-1-3-13(15)18;;/h1-4,12,14,16,20,22H,5-11,19H2;2*1H/t12-,14+,16+;;/m0../s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride?
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride is sourced from PubChem (CID 163334344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).