tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

C18H25FN2O2 — CID 147159931

IUPACtert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2
InChIInChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-15-14-10-13(19)5-4-12(14)11-18(15)6-8-20-9-7-18/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyBVQDQQICQZRZNN-OAHLLOKOSA-N
MW320.41 g/mol
LogP3.32
Rot. Bonds1

About tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (PubChem CID 147159931) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
PubChem CID147159931
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Nametert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2
InChIInChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-15-14-10-13(19)5-4-12(14)11-18(15)6-8-20-9-7-18/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyBVQDQQICQZRZNN-OAHLLOKOSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl 1-[methyl-[4-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 44524824
tert-butyl 1-[methyl-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 44524826
tert-butyl ((1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11299644
tert-butyl N-((1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 50999060
tert-Butyl ((4-(2-fluorophenyl)piperidin-4-yl)methyl)carbamate
CID 86276729
5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 118742080
tert-butyl N-[4-[(3-fluoro-2-methylphenyl)methylamino]cyclohexyl]carbamate
CID 172434987
Tert-butyl 4-[[(3-fluoro-2-methylphenyl)methylamino]methyl]piperidine-1-carboxylate
CID 172436204
1,1-Dimethylethyl (3S)-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylate
CID 20599017
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959
tert-Butyl ((1S,2R)-2-((S)-(1-benzylpiperidin-4-yl)(cyano)(3-fluorophenyl)methyl)cyclopentyl)carbamate
CID 134961225
tert-butyl N-[(1S,2R)-2-[(R)-(1-benzylpiperidin-4-yl)-cyano-(3-fluorophenyl)methyl]cyclopentyl]carbamate
CID 134961808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (CID 147159931) is tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2.
What is the InChIKey of tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?
The InChIKey is BVQDQQICQZRZNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-15-14-10-13(19)5-4-12(14)11-18(15)6-8-20-9-7-18/h4-5,10,15,20H,6-9,11H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?
tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate has a molecular weight of 320.41 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 147159931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).