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

C23H34N2O2 — CID 122442988

IUPACtert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-10-17(11-14-25)16-24-20-15-23(20)12-6-8-18-7-4-5-9-19(18)23/h4-5,7,9,17,20,24H,6,8,10-16H2,1-3H3
InChIKeySZDYTKCGQGXOKD-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.27
Rot. Bonds3

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

tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 122442988) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
PubChem CID122442988
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Nametert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-10-17(11-14-25)16-24-20-15-23(20)12-6-8-18-7-4-5-9-19(18)23/h4-5,7,9,17,20,24H,6,8,10-16H2,1-3H3
InChIKeySZDYTKCGQGXOKD-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (CID 122442988) is tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC2CC23CCCc2ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is SZDYTKCGQGXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-10-17(11-14-25)16-24-20-15-23(20)12-6-8-18-7-4-5-9-19(18)23/h4-5,7,9,17,20,24H,6,8,10-16H2,1-3H3.
What are the key properties of tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 370.54 g/mol, XLogP of 4.27, 3 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)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 122442988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).