tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate

C21H30N2O2 — CID 138657322

IUPACtert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-12-9-16(10-13-23)22-18-14-21(18)11-8-15-6-4-5-7-17(15)21/h4-7,16,18,22H,8-14H2,1-3H3
InChIKeyNJTXSPFDSSHFLX-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate

tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate (PubChem CID 138657322) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
PubChem CID138657322
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Nametert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-12-9-16(10-13-23)22-18-14-21(18)11-8-15-6-4-5-7-17(15)21/h4-7,16,18,22H,8-14H2,1-3H3
InChIKeyNJTXSPFDSSHFLX-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
tert-butyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 142434061
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
tert-butyl 2-[(4-chloro-2-ethylbenzoyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 70215258
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[(2,2-dimethylcyclopentyl)amino]azepane-1-carboxylate
CID 103982462
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate (CID 138657322) is tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CC23CCc2ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The InChIKey is NJTXSPFDSSHFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2,3)25-19(24)23-12-9-16(10-13-23)22-18-14-21(18)11-8-15-6-4-5-7-17(15)21/h4-7,16,18,22H,8-14H2,1-3H3.
What are the key properties of tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 138657322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).