tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate

C21H38N4O3Si — CID 77419825

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24-16-10-12-25(17-9-11-23-13-15(17)22)14-18(16)28-29(7,8)21(4,5)6/h9,11,13,16,18H,10,12,14,22H2,1-8H3,(H,24,26)
InChIKeyDXMDKVSXAXQCMY-UHFFFAOYSA-N
MW422.65 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate

tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate (PubChem CID 77419825) has the molecular formula C21H38N4O3Si and a molecular weight of 422.65 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
PubChem CID77419825
Molecular FormulaC21H38N4O3Si
Molecular Weight422.65 g/mol
Exact Mass422.27
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24-16-10-12-25(17-9-11-23-13-15(17)22)14-18(16)28-29(7,8)21(4,5)6/h9,11,13,16,18H,10,12,14,22H2,1-8H3,(H,24,26)
InChIKeyDXMDKVSXAXQCMY-UHFFFAOYSA-N
XLogP4.16
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamate
CID 68919438
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
CID 87527361
CID 87527361
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
methyl N-[(3R,4R)-1-(3-amino-2-chloro-5-cyanophenyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
CID 131732376
tert-butyl N-[1-(3-amino-4-pyridinyl)-6-methylpiperidin-3-yl]carbamate
CID 71007348
tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate
CID 146034032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate (CID 77419825) is tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccncc2N)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate?
The InChIKey is DXMDKVSXAXQCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24-16-10-12-25(17-9-11-23-13-15(17)22)14-18(16)28-29(7,8)21(4,5)6/h9,11,13,16,18H,10,12,14,22H2,1-8H3,(H,24,26).
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate?
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate has a molecular weight of 422.65 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate is sourced from PubChem (CID 77419825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).