N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide

C20H33FN2O2Si — CID 90005050

IUPACN-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C20H33FN2O2Si/c1-15(24)22-17-13-23(12-16-10-8-7-9-11-16)14-18(19(17)21)25-26(5,6)20(2,3)4/h7-11,17-19H,12-14H2,1-6H3,(H,22,24)/t17-,18+,19+/m0/s1
InChIKeyFPHUFVZMPVTFLL-IPMKNSEASA-N
MW380.58 g/mol
LogP3.74
Rot. Bonds5

About N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide

N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide (PubChem CID 90005050) has the molecular formula C20H33FN2O2Si and a molecular weight of 380.58 g/mol. Its IUPAC name is N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide
PubChem CID90005050
Molecular FormulaC20H33FN2O2Si
Molecular Weight380.58 g/mol
Exact Mass380.23
IUPAC NameN-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C20H33FN2O2Si/c1-15(24)22-17-13-23(12-16-10-8-7-9-11-16)14-18(19(17)21)25-26(5,6)20(2,3)4/h7-11,17-19H,12-14H2,1-6H3,(H,22,24)/t17-,18+,19+/m0/s1
InChIKeyFPHUFVZMPVTFLL-IPMKNSEASA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
CID 118287479
N-[(3S,4R,5R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-formylpyrrolidin-3-yl]acetamide
CID 90061343
[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl] N-(2-chloroethyl)carbamate
CID 90886951
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl 2-[(3S,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]acetate
CID 58303355
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
methyl (3S)-1-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylazepane-3-carboxylate
CID 174069006
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 171837871

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide (CID 90005050) is N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide is CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F.
What is the InChIKey of N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide?
The InChIKey is FPHUFVZMPVTFLL-IPMKNSEASA-N. The full InChI is InChI=1S/C20H33FN2O2Si/c1-15(24)22-17-13-23(12-16-10-8-7-9-11-16)14-18(19(17)21)25-26(5,6)20(2,3)4/h7-11,17-19H,12-14H2,1-6H3,(H,22,24)/t17-,18+,19+/m0/s1.
What are the key properties of N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide?
N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide has a molecular weight of 380.58 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide is sourced from PubChem (CID 90005050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).