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

C22H32N2O2 — CID 122463512

IUPACtert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C22H32N2O2/c1-21(2,3)26-20(25)24-13-10-17(11-14-24)23-19-15-22(19)12-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17,19,23H,6,8,10-15H2,1-3H3
InChIKeyBJRYSCHKYYIXEH-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.02
Rot. Bonds2

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

tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate (PubChem CID 122463512) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
PubChem CID122463512
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Nametert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C22H32N2O2/c1-21(2,3)26-20(25)24-13-10-17(11-14-24)23-19-15-22(19)12-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17,19,23H,6,8,10-15H2,1-3H3
InChIKeyBJRYSCHKYYIXEH-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 138657322
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 (3R,4R)-4-hydroxy-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidine-1-carboxylate
CID 10001074
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl 4-[(2,2-dimethylcyclopentyl)amino]azepane-1-carboxylate
CID 103982462
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-(2-methoxyethyl)acetamide
CID 143786118
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate (CID 122463512) is tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CC23CCCc2ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
The InChIKey is BJRYSCHKYYIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(2,3)26-20(25)24-13-10-17(11-14-24)23-19-15-22(19)12-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17,19,23H,6,8,10-15H2,1-3H3.
What are the key properties of tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate has a molecular weight of 356.51 g/mol, XLogP of 4.02, 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[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 122463512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).