(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one

C22H35NO3Si — CID 11234665

IUPAC(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C22H35NO3Si/c1-8-9-19-20(26-27(6,7)22(2,3)4)14-15-21(24)23(19)16-17-10-12-18(25-5)13-11-17/h8,10-13,19-20H,1,9,14-16H2,2-7H3/t19-,20-/m0/s1
InChIKeyGWYNEVGDWLCPQJ-PMACEKPBSA-N
MW389.61 g/mol
LogP5.15
Rot. Bonds7

About (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one (PubChem CID 11234665) has the molecular formula C22H35NO3Si and a molecular weight of 389.61 g/mol. Its IUPAC name is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one
PubChem CID11234665
Molecular FormulaC22H35NO3Si
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC Name(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C22H35NO3Si/c1-8-9-19-20(26-27(6,7)22(2,3)4)14-15-21(24)23(19)16-17-10-12-18(25-5)13-11-17/h8,10-13,19-20H,1,9,14-16H2,2-7H3/t19-,20-/m0/s1
InChIKeyGWYNEVGDWLCPQJ-PMACEKPBSA-N
XLogP5.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one?
The IUPAC name of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one (CID 11234665) is (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one is C=CC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one?
The InChIKey is GWYNEVGDWLCPQJ-PMACEKPBSA-N. The full InChI is InChI=1S/C22H35NO3Si/c1-8-9-19-20(26-27(6,7)22(2,3)4)14-15-21(24)23(19)16-17-10-12-18(25-5)13-11-17/h8,10-13,19-20H,1,9,14-16H2,2-7H3/t19-,20-/m0/s1.
What are the key properties of (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one?
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one has a molecular weight of 389.61 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 11234665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).