1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one

C19H33N3O2Si — CID 158256289

IUPAC1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-18-8-10-22(11-9-18)14-17(23)12-16-7-6-15(20)13-21-16/h6-7,13,18H,8-12,14,20H2,1-5H3
InChIKeyGHIDVPKQZBVYNU-UHFFFAOYSA-N
MW363.58 g/mol
LogP3.26
Rot. Bonds6

About 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one

1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one (PubChem CID 158256289) has the molecular formula C19H33N3O2Si and a molecular weight of 363.58 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one
PubChem CID158256289
Molecular FormulaC19H33N3O2Si
Molecular Weight363.58 g/mol
Exact Mass363.23
IUPAC Name1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-18-8-10-22(11-9-18)14-17(23)12-16-7-6-15(20)13-21-16/h6-7,13,18H,8-12,14,20H2,1-5H3
InChIKeyGHIDVPKQZBVYNU-UHFFFAOYSA-N
XLogP3.26
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one (CID 158256289) is 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one is CC(C)(C)[Si](C)(C)OC1CCN(CC(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one?
The InChIKey is GHIDVPKQZBVYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2Si/c1-19(2,3)25(4,5)24-18-8-10-22(11-9-18)14-17(23)12-16-7-6-15(20)13-21-16/h6-7,13,18H,8-12,14,20H2,1-5H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one?
1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one has a molecular weight of 363.58 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-3-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]propan-2-one is sourced from PubChem (CID 158256289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).