(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one

C21H35NO5Si — CID 10024507

IUPAC(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1
InChIInChI=1S/C21H35NO5Si/c1-21(2,3)28(4,5)27-14-16(23)20(25)19-17(11-12-18(24)22-19)26-13-15-9-7-6-8-10-15/h6-10,16-17,19-20,23,25H,11-14H2,1-5H3,(H,22,24)/t16-,17-,19-,20-/m1/s1
InChIKeyUKLQFSLHTGVAOW-HNBVOPMISA-N
MW409.60 g/mol
LogP2.59
Rot. Bonds8

About (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one

(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one (PubChem CID 10024507) has the molecular formula C21H35NO5Si and a molecular weight of 409.60 g/mol. Its IUPAC name is (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
PubChem CID10024507
Molecular FormulaC21H35NO5Si
Molecular Weight409.60 g/mol
Exact Mass409.23
IUPAC Name(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1
InChIInChI=1S/C21H35NO5Si/c1-21(2,3)28(4,5)27-14-16(23)20(25)19-17(11-12-18(24)22-19)26-13-15-9-7-6-8-10-15/h6-10,16-17,19-20,23,25H,11-14H2,1-5H3,(H,22,24)/t16-,17-,19-,20-/m1/s1
InChIKeyUKLQFSLHTGVAOW-HNBVOPMISA-N
XLogP2.59
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
CID 53253787
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(5S)-5-[(2S,3R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-7-phenylmethoxyheptan-3-yl]pyrrolidin-2-one
CID 11114448
tert-butyl (4S)-4-[(1R,2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-1-phenylmethoxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 45277045
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxycyclohexen-1-yl]methanol
CID 11111599
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
(1S,3R,3aS,7S,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-bis(phenylmethoxy)-1,2,3,3a,7,7a-hexahydroinden-4-one
CID 11237227
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one (CID 10024507) is (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1.
What is the InChIKey of (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one?
The InChIKey is UKLQFSLHTGVAOW-HNBVOPMISA-N. The full InChI is InChI=1S/C21H35NO5Si/c1-21(2,3)28(4,5)27-14-16(23)20(25)19-17(11-12-18(24)22-19)26-13-15-9-7-6-8-10-15/h6-10,16-17,19-20,23,25H,11-14H2,1-5H3,(H,22,24)/t16-,17-,19-,20-/m1/s1.
What are the key properties of (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one?
(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one has a molecular weight of 409.60 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 10024507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).