[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate

C18H32N4O3Si — CID 90281019

IUPAC[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate
SMILESC[C@H]1CNC[C@](OC(N)=O)(c2ccncc2N)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N4O3Si/c1-12-9-22-11-18(24-16(20)23,13-7-8-21-10-14(13)19)15(12)25-26(5,6)17(2,3)4/h7-8,10,12,15,22H,9,11,19H2,1-6H3,(H2,20,23)/t12-,15+,18-/m0/s1
InChIKeyAHKWRCRNPKSJFX-PNPHSEOMSA-N
MW380.57 g/mol
LogP2.58
Rot. Bonds4

About [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate

[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate (PubChem CID 90281019) has the molecular formula C18H32N4O3Si and a molecular weight of 380.57 g/mol. Its IUPAC name is [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate
PubChem CID90281019
Molecular FormulaC18H32N4O3Si
Molecular Weight380.57 g/mol
Exact Mass380.22
IUPAC Name[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate
SMILESC[C@H]1CNC[C@](OC(N)=O)(c2ccncc2N)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32N4O3Si/c1-12-9-22-11-18(24-16(20)23,13-7-8-21-10-14(13)19)15(12)25-26(5,6)17(2,3)4/h7-8,10,12,15,22H,9,11,19H2,1-6H3,(H2,20,23)/t12-,15+,18-/m0/s1
InChIKeyAHKWRCRNPKSJFX-PNPHSEOMSA-N
XLogP2.58
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate?
The IUPAC name of [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate (CID 90281019) is [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate.
What is the SMILES notation for [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate?
The canonical SMILES for [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate is C[C@H]1CNC[C@](OC(N)=O)(c2ccncc2N)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate?
The InChIKey is AHKWRCRNPKSJFX-PNPHSEOMSA-N. The full InChI is InChI=1S/C18H32N4O3Si/c1-12-9-22-11-18(24-16(20)23,13-7-8-21-10-14(13)19)15(12)25-26(5,6)17(2,3)4/h7-8,10,12,15,22H,9,11,19H2,1-6H3,(H2,20,23)/t12-,15+,18-/m0/s1.
What are the key properties of [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate?
[(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate has a molecular weight of 380.57 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S)-3-(3-amino-4-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl] carbamate is sourced from PubChem (CID 90281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).