(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one

C23H37NO4Si — CID 135012517

IUPAC(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)28-18-13-14-20(25)24(15-17-11-9-8-10-12-17)21(18)19-16-26-23(4,5)27-19/h8-12,18-19,21H,13-16H2,1-7H3/t18-,19+,21-/m0/s1
InChIKeyYGDYSNGAFOYPLN-ZVDOUQERSA-N
MW419.64 g/mol
LogP4.72
Rot. Bonds5

About (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one

(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one (PubChem CID 135012517) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one
PubChem CID135012517
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Name(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)28-18-13-14-20(25)24(15-17-11-9-8-10-12-17)21(18)19-16-26-23(4,5)27-19/h8-12,18-19,21H,13-16H2,1-7H3/t18-,19+,21-/m0/s1
InChIKeyYGDYSNGAFOYPLN-ZVDOUQERSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-1-benzyl-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10884298
(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde
CID 135012518
(5R)-1-benzyl-5-[(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]pyrrolidin-2-one
CID 135013430
(3aR,7S,9R,9aS,9bS)-7-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 59100013
(3aR,7R,9R,9aS,9bS)-7-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 59100084
(4R)-1-benzyl-4,5-dibutoxy-6-(butoxymethyl)piperidin-2-one
CID 132108525
1-Benzyl-4,5-dibutoxy-6-(butoxymethyl)piperidin-2-one
CID 132108596
1-Benzyl-5-butoxy-6-(butoxymethyl)piperidin-2-one
CID 132108618
(3aR,4R,7R,7aR)-5-benzyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-6-one
CID 160174604
(4R,5R)-5-[(S)-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10884818
N-benzyl-N-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]acetamide
CID 11317461
(4S,5S)-5-[(R)-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11812364

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one?
The IUPAC name of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one (CID 135012517) is (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one.
What is the SMILES notation for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one?
The canonical SMILES for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one is CC1(C)OC[C@H]([C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one?
The InChIKey is YGDYSNGAFOYPLN-ZVDOUQERSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)28-18-13-14-20(25)24(15-17-11-9-8-10-12-17)21(18)19-16-26-23(4,5)27-19/h8-12,18-19,21H,13-16H2,1-7H3/t18-,19+,21-/m0/s1.
What are the key properties of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one?
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one has a molecular weight of 419.64 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one is sourced from PubChem (CID 135012517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).