pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone

C17H23N3O — CID 67667343

IUPACpyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H23N3O/c21-16(19-9-3-4-10-19)20-11-7-17(8-12-20)13-18-15-6-2-1-5-14(15)17/h1-2,5-6,18H,3-4,7-13H2
InChIKeyMLWLMEKNWWXCRV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds

About pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone

pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 67667343) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
PubChem CID67667343
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Namepyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H23N3O/c21-16(19-9-3-4-10-19)20-11-7-17(8-12-20)13-18-15-6-2-1-5-14(15)17/h1-2,5-6,18H,3-4,7-13H2
InChIKeyMLWLMEKNWWXCRV-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
CID 163334344
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
CID 77096966
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
CID 175894730
(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
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone (CID 67667343) is pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone is O=C(N1CCCC1)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is MLWLMEKNWWXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16(19-9-3-4-10-19)20-11-7-17(8-12-20)13-18-15-6-2-1-5-14(15)17/h1-2,5-6,18H,3-4,7-13H2.
What are the key properties of pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 67667343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).