tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate

C19H24F2N2O2 — CID 168998443

IUPACtert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C1Nc2ccc(C(F)F)cc2C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H24F2N2O2/c1-12-19(14-11-13(16(20)21)5-6-15(14)22-12)7-9-23(10-8-19)17(24)25-18(2,3)4/h5-6,11,16,22H,1,7-10H2,2-4H3
InChIKeySFSFOOGELDONBK-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.83
Rot. Bonds1

About tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 168998443) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID168998443
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Nametert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C1Nc2ccc(C(F)F)cc2C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H24F2N2O2/c1-12-19(14-11-13(16(20)21)5-6-15(14)22-12)7-9-23(10-8-19)17(24)25-18(2,3)4/h5-6,11,16,22H,1,7-10H2,2-4H3
InChIKeySFSFOOGELDONBK-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170063972
tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170064238
tert-butyl 7-(difluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166172529
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
5-(1-fluoroethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]
CID 168997777
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674
tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 130404438
tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
CID 163385509
tert-butyl (3S)-6-amino-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 126455566
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (CID 168998443) is tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is C=C1Nc2ccc(C(F)F)cc2C12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is SFSFOOGELDONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-12-19(14-11-13(16(20)21)5-6-15(14)22-12)7-9-23(10-8-19)17(24)25-18(2,3)4/h5-6,11,16,22H,1,7-10H2,2-4H3.
What are the key properties of tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 350.41 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 168998443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).