1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C17H20F4N2O2 — CID 118788787

IUPAC1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H20F4N2O2/c18-15(19)17(20,21)11-25-9-14(24)23-7-5-16(6-8-23)10-22-13-4-2-1-3-12(13)16/h1-4,15,22H,5-11H2
InChIKeyHDUYWNTUFBBMMH-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.89
Rot. Bonds5

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

1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 118788787) has the molecular formula C17H20F4N2O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID118788787
Molecular FormulaC17H20F4N2O2
Molecular Weight360.35 g/mol
Exact Mass360.15
IUPAC Name1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H20F4N2O2/c18-15(19)17(20,21)11-25-9-14(24)23-7-5-16(6-8-23)10-22-13-4-2-1-3-12(13)16/h1-4,15,22H,5-11H2
InChIKeyHDUYWNTUFBBMMH-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
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
1-(4-pyridin-4-ylpiperidin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 91776309
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118765848
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 118777229
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
2-(2,2,3,3-tetrafluoropropoxy)-1-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 90652940
(5R)-7-(cyclopropylmethyl)-2-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97157021
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
CID 77096966
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648

Frequently Asked Questions

What is the IUPAC name of 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 118788787) is 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is HDUYWNTUFBBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O2/c18-15(19)17(20,21)11-25-9-14(24)23-7-5-16(6-8-23)10-22-13-4-2-1-3-12(13)16/h1-4,15,22H,5-11H2.
What are the key properties of 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 360.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 118788787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).