(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one

C23H35NO3Si — CID 53495114

IUPAC(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CCO[Si](C)(C)C(C)(C)C)CCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C23H35NO3Si/c1-7-14-23(16-18-27-28(5,6)22(2,3)4)15-11-17-24(21(23)26)20(25)19-12-9-8-10-13-19/h7-10,12-13H,1,11,14-18H2,2-6H3/t23-/m1/s1
InChIKeyZKSLQNWYGYAVPK-HSZRJFAPSA-N
MW401.62 g/mol
LogP5.42
Rot. Bonds7

About (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one

(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one (PubChem CID 53495114) has the molecular formula C23H35NO3Si and a molecular weight of 401.62 g/mol. Its IUPAC name is (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one
PubChem CID53495114
Molecular FormulaC23H35NO3Si
Molecular Weight401.62 g/mol
Exact Mass401.24
IUPAC Name(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CCO[Si](C)(C)C(C)(C)C)CCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C23H35NO3Si/c1-7-14-23(16-18-27-28(5,6)22(2,3)4)15-11-17-24(21(23)26)20(25)19-12-9-8-10-13-19/h7-10,12-13H,1,11,14-18H2,2-6H3/t23-/m1/s1
InChIKeyZKSLQNWYGYAVPK-HSZRJFAPSA-N
XLogP5.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.62
LogP ≤ 55.42
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one (CID 53495114) is (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one is C=CC[C@]1(CCO[Si](C)(C)C(C)(C)C)CCCN(C(=O)c2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one?
The InChIKey is ZKSLQNWYGYAVPK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H35NO3Si/c1-7-14-23(16-18-27-28(5,6)22(2,3)4)15-11-17-24(21(23)26)20(25)19-12-9-8-10-13-19/h7-10,12-13H,1,11,14-18H2,2-6H3/t23-/m1/s1.
What are the key properties of (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one?
(3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one has a molecular weight of 401.62 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzoyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 53495114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).