tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C26H39N3O3 — CID 59433503

IUPACtert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCC(=O)N[C@H]1CCC2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C26H39N3O3/c1-19(30)27-23-9-12-26(22-8-6-5-7-21(22)23)13-17-28(18-14-26)20-10-15-29(16-11-20)24(31)32-25(2,3)4/h5-8,20,23H,9-18H2,1-4H3,(H,27,30)/t23-/m0/s1
InChIKeyFYRKUQHBBFVHLT-QHCPKHFHSA-N
MW441.62 g/mol
LogP4.39
Rot. Bonds2

About tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433503) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433503
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Nametert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCC(=O)N[C@H]1CCC2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C26H39N3O3/c1-19(30)27-23-9-12-26(22-8-6-5-7-21(22)23)13-17-28(18-14-26)20-10-15-29(16-11-20)24(31)32-25(2,3)4/h5-8,20,23H,9-18H2,1-4H3,(H,27,30)/t23-/m0/s1
InChIKeyFYRKUQHBBFVHLT-QHCPKHFHSA-N
XLogP4.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 160599665
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 160602554
ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 89136835
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24875546
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433503) is tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CC(=O)N[C@H]1CCC2(CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is FYRKUQHBBFVHLT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-19(30)27-23-9-12-26(22-8-6-5-7-21(22)23)13-17-28(18-14-26)20-10-15-29(16-11-20)24(31)32-25(2,3)4/h5-8,20,23H,9-18H2,1-4H3,(H,27,30)/t23-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 441.62 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).